Chemoinformaics analysis of SALICYL ALCOHOL
Molecular Weight | 124.139 | nRot | 1 |
Heavy Atom Molecular Weight | 116.075 | nRig | 6 |
Exact Molecular Weight | 124.052 | nRing | 1 |
Solubility: LogS | -0.076 | nHRing | 0 |
Solubility: LogP | 0.637 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 18.6283 |
nHD | 2 | BPOL | 8.02566 |
QED | 0.583 |
Synth | 1.726 |
Natural Product Likeliness | 0.759 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.014 |
CACO-2 | -4.311 |
MDCK | 0.0000188 |
BBB | 0.11 |
PPB | 0.354725 |
VDSS | 1.448 |
FU | 0.502595 |
CYP1A2-inh | 0.483 |
CYP1A2-sub | 0.326 |
CYP2c19-inh | 0.071 |
CYP2c19-sub | 0.245 |
CYP2c9-inh | 0.014 |
CYP2c9-sub | 0.175 |
CYP2d6-inh | 0.192 |
CYP2d6-sub | 0.729 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.233 |
CL | 12.084 |
T12 | 0.938 |
hERG | 0.013 |
Ames | 0.531 |
ROA | 0.76 |
SkinSen | 0.824 |
Carcinogencity | 0.407 |
EI | 0.992 |
Respiratory | 0.106 |
NR-Aromatase | 0.04 |
Antiviral | No |
Prediction | 0.904946 |