Chemoinformaics analysis of O-DIHYDROXYPHENOL
Molecular Weight | 128.127 | nRot | 0 |
Heavy Atom Molecular Weight | 120.063 | nRig | 6 |
Exact Molecular Weight | 128.047 | nRing | 1 |
Solubility: LogS | -0.844 | nHRing | 0 |
Solubility: LogP | -0.136 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | 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 | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 17.7603 |
nHD | 3 | BPOL | 8.02566 |
QED | 0.372 |
Synth | 4.1 |
Natural Product Likeliness | 2.007 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.025 |
CACO-2 | -4.623 |
MDCK | 0.0000809 |
BBB | 0.995 |
PPB | 0.11313 |
VDSS | 2.405 |
FU | 0.766192 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.059 |
CYP2c19-inh | 0.015 |
CYP2c19-sub | 0.156 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.408 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.143 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.061 |
CL | 2.577 |
T12 | 0.662 |
hERG | 0.023 |
Ames | 0.287 |
ROA | 0.764 |
SkinSen | 0.915 |
Carcinogencity | 0.622 |
EI | 0.367 |
Respiratory | 0.926 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.938427 |