Chemoinformaics analysis of ORYZAROL
Molecular Weight | 402.619 | nRot | 18 |
Heavy Atom Molecular Weight | 360.283 | nRig | 8 |
Exact Molecular Weight | 402.313 | nRing | 1 |
Solubility: LogS | -7.188 | nHRing | 0 |
Solubility: LogP | 8.726 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 71 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 42 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 26 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 73.8313 |
nHD | 0 | BPOL | 46.4747 |
QED | 0.109 |
Synth | 2.192 |
Natural Product Likeliness | 0.28 |
NR-PPAR-gamma | 0.501 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.942 |
Pgp-sub | 0.001 |
HIA | 0.003 |
CACO-2 | -4.843 |
MDCK | 0.00001 |
BBB | 0.074 |
PPB | 1.00523 |
VDSS | 0.821 |
FU | 0.00497462 |
CYP1A2-inh | 0.227 |
CYP1A2-sub | 0.202 |
CYP2c19-inh | 0.51 |
CYP2c19-sub | 0.068 |
CYP2c9-inh | 0.179 |
CYP2c9-sub | 0.955 |
CYP2d6-inh | 0.184 |
CYP2d6-sub | 0.876 |
CYP3a4-inh | 0.638 |
CYP3a4-sub | 0.093 |
CL | 6.067 |
T12 | 0.174 |
hERG | 0.13 |
Ames | 0.006 |
ROA | 0.013 |
SkinSen | 0.977 |
Carcinogencity | 0.081 |
EI | 0.699 |
Respiratory | 0.597 |
NR-Aromatase | 0.086 |
Antiviral | Yes |
Prediction | 0.812492 |