Chemoinformaics analysis of ORYZANOL
Molecular Weight | 616.927 | nRot | 9 |
Heavy Atom Molecular Weight | 556.447 | nRig | 31 |
Exact Molecular Weight | 616.449 | nRing | 6 |
Solubility: LogS | -6.798 | nHRing | 0 |
Solubility: LogP | 7.972 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 105 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 45 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 60 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 41 | 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 | 111.686 |
nHD | 1 | BPOL | 64.5324 |
QED | 0.17 |
Synth | 5.699 |
Natural Product Likeliness | 2.731 |
NR-PPAR-gamma | 0.927 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.991 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -5.059 |
MDCK | 0.0000163 |
BBB | 0.177 |
PPB | 1.01604 |
VDSS | 2.089 |
FU | 0.0169318 |
CYP1A2-inh | 0.019 |
CYP1A2-sub | 0.76 |
CYP2c19-inh | 0.109 |
CYP2c19-sub | 0.949 |
CYP2c9-inh | 0.071 |
CYP2c9-sub | 0.913 |
CYP2d6-inh | 0.13 |
CYP2d6-sub | 0.917 |
CYP3a4-inh | 0.253 |
CYP3a4-sub | 0.782 |
CL | 9.117 |
T12 | 0.01 |
hERG | 0.357 |
Ames | 0.012 |
ROA | 0.132 |
SkinSen | 0.433 |
Carcinogencity | 0.022 |
EI | 0.127 |
Respiratory | 0.911 |
NR-Aromatase | 0.515 |
Antiviral | Yes |
Prediction | 0.794958 |