Chemoinformaics analysis of 8-HYDROXYGENISTEIN
Molecular Weight | 286.239 | nRot | 1 |
Heavy Atom Molecular Weight | 276.159 | nRig | 18 |
Exact Molecular Weight | 286.048 | nRing | 3 |
Solubility: LogS | -3.461 | nHRing | 1 |
Solubility: LogP | 2.029 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 36.5299 |
nHD | 4 | BPOL | 12.6361 |
QED | 0.403 |
Synth | 2.494 |
Natural Product Likeliness | 1.528 |
NR-PPAR-gamma | 0.953 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.032 |
HIA | 0.01 |
CACO-2 | -5.126 |
MDCK | 0.00000616 |
BBB | 0.008 |
PPB | 0.982542 |
VDSS | 0.48 |
FU | 0.0378317 |
CYP1A2-inh | 0.953 |
CYP1A2-sub | 0.114 |
CYP2c19-inh | 0.107 |
CYP2c19-sub | 0.045 |
CYP2c9-inh | 0.673 |
CYP2c9-sub | 0.694 |
CYP2d6-inh | 0.625 |
CYP2d6-sub | 0.231 |
CYP3a4-inh | 0.193 |
CYP3a4-sub | 0.08 |
CL | 7.861 |
T12 | 0.918 |
hERG | 0.058 |
Ames | 0.517 |
ROA | 0.443 |
SkinSen | 0.936 |
Carcinogencity | 0.372 |
EI | 0.927 |
Respiratory | 0.074 |
NR-Aromatase | 0.766 |
Antiviral | Yes |
Prediction | 0.724554 |