Chemoinformaics analysis of 2-NAPHTHOL
Molecular Weight | 144.173 | nRot | 0 |
Heavy Atom Molecular Weight | 136.109 | nRig | 11 |
Exact Molecular Weight | 144.058 | nRing | 2 |
Solubility: LogS | -2.479 | nHRing | 0 |
Solubility: LogP | 2.762 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | 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 | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 1 | No. of Arom Bond | 11 |
nHA | 1 | APOL | 22.8363 |
nHD | 1 | BPOL | 8.02566 |
QED | 0.602 |
Synth | 1.426 |
Natural Product Likeliness | 0.422 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.008 |
HIA | 0.012 |
CACO-2 | -4.416 |
MDCK | 0.0000193 |
BBB | 0.25 |
PPB | 0.931718 |
VDSS | 1.466 |
FU | 0.072773 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.408 |
CYP2c19-inh | 0.781 |
CYP2c19-sub | 0.126 |
CYP2c9-inh | 0.287 |
CYP2c9-sub | 0.856 |
CYP2d6-inh | 0.839 |
CYP2d6-sub | 0.875 |
CYP3a4-inh | 0.208 |
CYP3a4-sub | 0.225 |
CL | 14.731 |
T12 | 0.763 |
hERG | 0.037 |
Ames | 0.582 |
ROA | 0.179 |
SkinSen | 0.931 |
Carcinogencity | 0.791 |
EI | 0.995 |
Respiratory | 0.75 |
NR-Aromatase | 0.031 |
Antiviral | No |
Prediction | 0.811467 |