Chemoinformaics analysis of Nonanol
Molecular Weight | 144.258 | nRot | 7 |
Heavy Atom Molecular Weight | 124.098 | nRig | 0 |
Exact Molecular Weight | 144.151 | nRing | 0 |
Solubility: LogS | -2.845 | nHRing | 0 |
Solubility: LogP | 3.463 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | 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 | 9 | 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 | 29.1679 |
nHD | 1 | BPOL | 20.0641 |
QED | 0.545 |
Synth | 1.585 |
Natural Product Likeliness | 0.751 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.024 |
HIA | 0.003 |
CACO-2 | -4.312 |
MDCK | 0.0000239 |
BBB | 0.974 |
PPB | 0.865994 |
VDSS | 1.164 |
FU | 0.164055 |
CYP1A2-inh | 0.894 |
CYP1A2-sub | 0.515 |
CYP2c19-inh | 0.263 |
CYP2c19-sub | 0.12 |
CYP2c9-inh | 0.216 |
CYP2c9-sub | 0.764 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.094 |
CYP3a4-inh | 0.03 |
CYP3a4-sub | 0.093 |
CL | 8.46 |
T12 | 0.586 |
hERG | 0.074 |
Ames | 0.007 |
ROA | 0.06 |
SkinSen | 0.89 |
Carcinogencity | 0.089 |
EI | 0.981 |
Respiratory | 0.237 |
NR-Aromatase | 0.02 |
Antiviral | No |
Prediction | 0.93315 |