Chemoinformaics analysis of Momordicoside F1
Molecular Weight | 632.879 | nRot | 8 |
Heavy Atom Molecular Weight | 572.399 | nRig | 30 |
Exact Molecular Weight | 632.429 | nRing | 6 |
Solubility: LogS | -4.286 | nHRing | 2 |
Solubility: LogP | 4.458 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 105 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 45 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 60 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 37 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 108.214 |
nHD | 4 | BPOL | 67.1364 |
QED | 0.283 |
Synth | 6.948 |
Natural Product Likeliness | 3.311 |
NR-PPAR-gamma | 0.023 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.14 |
Pgp-sub | 0.008 |
HIA | 0.208 |
CACO-2 | -4.954 |
MDCK | 0.0000615 |
BBB | 0.023 |
PPB | 0.96187 |
VDSS | 1.311 |
FU | 0.032485 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.617 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.926 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.063 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.463 |
CYP3a4-inh | 0.306 |
CYP3a4-sub | 0.417 |
CL | 1.332 |
T12 | 0.024 |
hERG | 0.016 |
Ames | 0.048 |
ROA | 0.201 |
SkinSen | 0.012 |
Carcinogencity | 0.038 |
EI | 0.004 |
Respiratory | 0.702 |
NR-Aromatase | 0.922 |
Antiviral | Yes |
Prediction | 0.859245 |