Chemoinformaics analysis of Alcohol
Molecular Weight | 46.069 | nRot | 0 |
Heavy Atom Molecular Weight | 40.021 | nRig | 0 |
Exact Molecular Weight | 46.0419 | nRing | 0 |
Solubility: LogS | 1.032 | nHRing | 0 |
Solubility: LogP | -0.104 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 9 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 3 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | 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 | 8.14276 |
nHD | 1 | BPOL | 6.01924 |
QED | 0.407 |
Synth | 1.98 |
Natural Product Likeliness | 0.598 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.142 |
HIA | 0.004 |
CACO-2 | -4.228 |
MDCK | 0.000989929 |
BBB | 0.931 |
PPB | 0.0958414 |
VDSS | 0.849 |
FU | 0.870363 |
CYP1A2-inh | 0.288 |
CYP1A2-sub | 0.736 |
CYP2c19-inh | 0.036 |
CYP2c19-sub | 0.807 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.407 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.44 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.207 |
CL | 7.814 |
T12 | 0.823 |
hERG | 0.027 |
Ames | 0.02 |
ROA | 0.059 |
SkinSen | 0.23 |
Carcinogencity | 0.185 |
EI | 0.989 |
Respiratory | 0.028 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.953765 |