Chemoinformaics analysis of Momordicoside C
Molecular Weight | 801.024 | nRot | 11 |
Heavy Atom Molecular Weight | 728.448 | nRig | 32 |
Exact Molecular Weight | 800.492 | nRing | 6 |
Solubility: LogS | -3.034 | nHRing | 2 |
Solubility: LogP | 2.201 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 128 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 56 | No. of Aromatic Carbocycles | 0 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 72 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 42 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 14 | No. of Arom Bond | 0 |
nHA | 14 | APOL | 129.377 |
nHD | 10 | BPOL | 79.1749 |
QED | 0.132 |
Synth | 5.987 |
Natural Product Likeliness | 2.722 |
NR-PPAR-gamma | 0.27 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.538 |
Pgp-sub | 0.01 |
HIA | 0.979 |
CACO-2 | -5.296 |
MDCK | 0.000114768 |
BBB | 0.105 |
PPB | 0.905247 |
VDSS | 0.432 |
FU | 0.0662276 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.084 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.207 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.081 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.127 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.041 |
CL | 0.921 |
T12 | 0.033 |
hERG | 0.008 |
Ames | 0.08 |
ROA | 0.349 |
SkinSen | 0.003 |
Carcinogencity | 0.014 |
EI | 0.002 |
Respiratory | 0.084 |
NR-Aromatase | 0.777 |
Antiviral | Yes |
Prediction | 0.855766 |