Chemoinformaics analysis of 3-Oxorhazinilam
Molecular Weight | 308.381 | nRot | 1 |
Heavy Atom Molecular Weight | 288.221 | nRig | 24 |
Exact Molecular Weight | 308.152 | nRing | 4 |
Solubility: LogS | -4.616 | nHRing | 3 |
Solubility: LogP | 2.735 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 11 |
No. of Oxygen atom | 2 | No. of Arom Bond | 11 |
nHA | 3 | APOL | 48.8699 |
nHD | 1 | BPOL | 24.0801 |
QED | 0.866 |
Synth | 3.819 |
Natural Product Likeliness | 0.668 |
NR-PPAR-gamma | 0.894 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.656 |
Pgp-sub | 0.009 |
HIA | 0.002 |
CACO-2 | -4.696 |
MDCK | 0.0000214 |
BBB | 0.606 |
PPB | 0.876033 |
VDSS | 0.674 |
FU | 0.0649596 |
CYP1A2-inh | 0.825 |
CYP1A2-sub | 0.868 |
CYP2c19-inh | 0.801 |
CYP2c19-sub | 0.311 |
CYP2c9-inh | 0.47 |
CYP2c9-sub | 0.613 |
CYP2d6-inh | 0.638 |
CYP2d6-sub | 0.418 |
CYP3a4-inh | 0.709 |
CYP3a4-sub | 0.649 |
CL | 1.521 |
T12 | 0.699 |
hERG | 0.048 |
Ames | 0.059 |
ROA | 0.796 |
SkinSen | 0.118 |
Carcinogencity | 0.425 |
EI | 0.01 |
Respiratory | 0.082 |
NR-Aromatase | 0.17 |
Antiviral | Yes |
Prediction | 0.810034 |