Chemoinformaics analysis of Styrene Oxyresveratrol
Molecular Weight | 304.342 | nRot | 9 |
Heavy Atom Molecular Weight | 284.182 | nRig | 10 |
Exact Molecular Weight | 304.131 | nRing | 1 |
Solubility: LogS | -2.475 | nHRing | 0 |
Solubility: LogP | 1.315 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 45.7359 |
nHD | 1 | BPOL | 24.4041 |
QED | 0.43 |
Synth | 3.379 |
Natural Product Likeliness | 1.506 |
NR-PPAR-gamma | 0.784 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.285 |
CACO-2 | -4.599 |
MDCK | 0.0000185 |
BBB | 0.469 |
PPB | 0.57752 |
VDSS | 0.754 |
FU | 0.575176 |
CYP1A2-inh | 0.227 |
CYP1A2-sub | 0.095 |
CYP2c19-inh | 0.561 |
CYP2c19-sub | 0.078 |
CYP2c9-inh | 0.184 |
CYP2c9-sub | 0.823 |
CYP2d6-inh | 0.14 |
CYP2d6-sub | 0.294 |
CYP3a4-inh | 0.294 |
CYP3a4-sub | 0.262 |
CL | 12.24 |
T12 | 0.926 |
hERG | 0.027 |
Ames | 0.367 |
ROA | 0.048 |
SkinSen | 0.962 |
Carcinogencity | 0.825 |
EI | 0.975 |
Respiratory | 0.781 |
NR-Aromatase | 0.267 |
Antiviral | Yes |
Prediction | 0.739511 |