Chemoinformaics analysis of 2-Decen-1-ol
Molecular Weight | 156.269 | nRot | 7 |
Heavy Atom Molecular Weight | 136.109 | nRig | 21 |
Exact Molecular Weight | 156.151 | nRing | 0 |
Solubility: LogS | -6.907 | nHRing | 0 |
Solubility: LogP | 7.515 | 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 | 0.454 |
Synth | 4.566 |
Natural Product Likeliness | 2.754 |
NR-PPAR-gamma | 0.023 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.381 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -4.613 |
MDCK | 0.00000822 |
BBB | 0.864 |
PPB | 0.984693 |
VDSS | 2.71 |
FU | 0.0169492 |
CYP1A2-inh | 0.059 |
CYP1A2-sub | 0.481 |
CYP2c19-inh | 0.091 |
CYP2c19-sub | 0.949 |
CYP2c9-inh | 0.136 |
CYP2c9-sub | 0.413 |
CYP2d6-inh | 0.04 |
CYP2d6-sub | 0.642 |
CYP3a4-inh | 0.282 |
CYP3a4-sub | 0.589 |
CL | 14.59 |
T12 | 0.015 |
hERG | 0.01 |
Ames | 0.021 |
ROA | 0.022 |
SkinSen | 0.023 |
Carcinogencity | 0.248 |
EI | 0.009 |
Respiratory | 0.339 |
NR-Aromatase | 0.023 |
Antiviral | No |
Prediction | 0.91695 |