Chemoinformaics analysis of GAMMA-ORYZANOL
Molecular Weight | 602.9 | nRot | 8 |
Heavy Atom Molecular Weight | 544.436 | nRig | 31 |
Exact Molecular Weight | 602.434 | nRing | 6 |
Solubility: LogS | -6.919 | nHRing | 0 |
Solubility: LogP | 8.616 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 102 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 44 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 58 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 40 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 108.682 |
nHD | 1 | BPOL | 62.526 |
QED | 0.183 |
Synth | 5.54 |
Natural Product Likeliness | 2.682 |
NR-PPAR-gamma | 0.945 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.98 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -5.023 |
MDCK | 0.0000159 |
BBB | 0.054 |
PPB | 1.03114 |
VDSS | 3.454 |
FU | 0.0174924 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.413 |
CYP2c19-inh | 0.125 |
CYP2c19-sub | 0.937 |
CYP2c9-inh | 0.076 |
CYP2c9-sub | 0.936 |
CYP2d6-inh | 0.143 |
CYP2d6-sub | 0.884 |
CYP3a4-inh | 0.254 |
CYP3a4-sub | 0.598 |
CL | 13.661 |
T12 | 0.009 |
hERG | 0.85 |
Ames | 0.012 |
ROA | 0.091 |
SkinSen | 0.925 |
Carcinogencity | 0.015 |
EI | 0.081 |
Respiratory | 0.919 |
NR-Aromatase | 0.513 |
Antiviral | Yes |
Prediction | 0.794958 |