Chemoinformaics analysis of 2-Decen-1-ol, (Z)-
Molecular Weight | 156.269 | nRot | 7 |
Heavy Atom Molecular Weight | 136.109 | nRig | 1 |
Exact Molecular Weight | 156.151 | nRing | 0 |
Solubility: LogS | 0.689 | nHRing | 0 |
Solubility: LogP | 0.309 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 30.8379 |
nHD | 1 | BPOL | 20.0641 |
QED | 0.451 |
Synth | 1.846 |
Natural Product Likeliness | 0.155 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.021 |
HIA | 0.005 |
CACO-2 | -4.29 |
MDCK | 0.0000278 |
BBB | 0.987 |
PPB | 0.283521 |
VDSS | 0.675 |
FU | 0.775872 |
CYP1A2-inh | 0.348 |
CYP1A2-sub | 0.85 |
CYP2c19-inh | 0.07 |
CYP2c19-sub | 0.88 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.664 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.712 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.266 |
CL | 8.432 |
T12 | 0.805 |
hERG | 0.021 |
Ames | 0.008 |
ROA | 0.038 |
SkinSen | 0.31 |
Carcinogencity | 0.1 |
EI | 0.988 |
Respiratory | 0.029 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.91695 |