Tin hydroxide (Sn(OH)4), (T-4)- (Predicted)

Basic Info

FADB-China IDP0770
Molecular NameTin hydroxide (Sn(OH)4), (T-4)-
Basis for prediction Sulphur
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.0000
Similarity (based on Tanimoto coefficient and Daylight fingerprint)1.0000
Similarity (based on MCS)None
2D StructureNo image
SMILESO.O.O.O.[Sn]
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.8218
Human Intestinal AbsorptionHIA+0.8318
Caco-2 PermeabilityCaco2-0.5597
P-glycoprotein SubstrateNon-substrate0.8144
P-glycoprotein InhibitorNon-inhibitor0.9850
Non-inhibitor0.9791
Renal Organic Cation TransporterNon-inhibitor0.9421
Distribution
Subcellular localizationMitochondria0.5777
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8473
CYP450 2D6 SubstrateNon-substrate0.9037
CYP450 3A4 SubstrateNon-substrate0.8087
CYP450 1A2 InhibitorNon-inhibitor0.9386
CYP450 2C9 InhibitorNon-inhibitor0.9202
CYP450 2D6 InhibitorNon-inhibitor0.9666
CYP450 2C19 InhibitorNon-inhibitor0.9517
CYP450 3A4 InhibitorNon-inhibitor0.9578
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9511
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9673
Non-inhibitor0.9792
AMES ToxicityNon AMES toxic0.8473
CarcinogensCarcinogens 0.5590
Fish ToxicityLow FHMT0.9076
Tetrahymena Pyriformis ToxicityLow TPT0.9020
Honey Bee ToxicityHigh HBT0.7283
BiodegradationReady biodegradable0.5915
Acute Oral ToxicityIII0.6084
Carcinogenicity (Three-class)Non-required0.6720

ADMET -- Regression

Model Value Unit
Aqueous solubility0.1713LogS
Caco-2 Permeability0.6572LogPapp, cm/s
Rat Acute Toxicity1.5767LD50, mol/kg
Fish Toxicity2.1056pLC50, mg/L
Tetrahymena Pyriformis Toxicity-1.1370pIGC50, ug/L

References

TitleData Sources
Source HPV EPA Chemicals
PubChem LinkURL Link