ETHYLENE-PROPYLENE-DICYCLOPENTADIENE COPOLYMER
General Information
| Mainterm | ETHYLENE-PROPYLENE-DICYCLOPENTADIENE COPOLYMER |
| CAS Reg.No.(or other ID) | 25034-71-3 |
| Regnum |
175.105 177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 168242 |
| IUPAC Name | |
| InChI | InChI=1S/C10H12.C3H6.C2H4/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-3-2;1-2/h1-2,4-5,7-10H,3,6H2;3H,1H2,2H3;1-2H2 |
| InChI Key | FONZLIJOWFDKNC-UHFFFAOYSA-N |
| Canonical SMILES | CC=C.C=C.C1C=CC2C1C3CC2C=C3 |
| Molecular Formula | C15H22 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 202.341 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 220.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w A A A A A A A A A A A A A A A A A A A A A Y I E A A A g A A A A A A A Q A A A A A A A A G A A A A A A A D Q C A A A A C A A A A A A C A A C B C A A A A A A A g A A A I C A A A A A g A A A I A A Q A A A A A A g A A I A A M A g M A O g A A A A A A A A A A A A A A A A A A A A Q A A C A A A A A = = |
| Topological Polar Surface Area | 0.0 |
| Monoisotopic Mass | 202.172 |
| Exact Mass | 202.172 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9723 |
| Human Intestinal Absorption | HIA+ | 1.0000 |
| Caco-2 Permeability | Caco2+ | 0.6855 |
| P-glycoprotein Substrate | Non-substrate | 0.7389 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8827 |
| Non-inhibitor | 0.8896 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8433 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.7794 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8325 |
| CYP450 2D6 Substrate | Non-substrate | 0.8612 |
| CYP450 3A4 Substrate | Non-substrate | 0.7383 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6276 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8997 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9399 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8232 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.8485 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.7368 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.8633 |
| Non-inhibitor | 0.9538 | |
| AMES Toxicity | Non AMES toxic | 0.8546 |
| Carcinogens | Non-carcinogens | 0.7188 |
| Fish Toxicity | High FHMT | 0.9950 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9819 |
| Honey Bee Toxicity | High HBT | 0.8543 |
| Biodegradation | Not ready biodegradable | 0.9649 |
| Acute Oral Toxicity | III | 0.8649 |
| Carcinogenicity (Three-class) | Non-required | 0.4632 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -4.0528 | LogS |
| Caco-2 Permeability | 1.4928 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.3729 | LD50, mol/kg |
| Fish Toxicity | -0.4143 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.3238 | pIGC50, ug/L |
From admetSAR