Chemoinformaics analysis of Momordicine II
Molecular Weight | 634.851 | nRot | 8 |
Heavy Atom Molecular Weight | 576.387 | nRig | 28 |
Exact Molecular Weight | 634.408 | nRing | 5 |
Solubility: LogS | -3.603 | nHRing | 1 |
Solubility: LogP | 2.81 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 103 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 45 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 58 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 36 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 106.012 |
nHD | 6 | BPOL | 62.526 |
QED | 0.174 |
Synth | 5.821 |
Natural Product Likeliness | 3.264 |
NR-PPAR-gamma | 0.833 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.876 |
Pgp-sub | 0.077 |
HIA | 0.932 |
CACO-2 | -5.005 |
MDCK | 0.0000491 |
BBB | 0.83 |
PPB | 0.765566 |
VDSS | 1.549 |
FU | 0.076781 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.29 |
CYP2c19-inh | 0.002 |
CYP2c19-sub | 0.778 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.143 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.106 |
CYP3a4-inh | 0.454 |
CYP3a4-sub | 0.252 |
CL | 2.128 |
T12 | 0.027 |
hERG | 0.006 |
Ames | 0.197 |
ROA | 0.646 |
SkinSen | 0.013 |
Carcinogencity | 0.042 |
EI | 0.004 |
Respiratory | 0.948 |
NR-Aromatase | 0.883 |
Antiviral | Yes |
Prediction | 0.776872 |