Chemoinformaics analysis of Momordicoside D
Molecular Weight | 783.009 | nRot | 10 |
Heavy Atom Molecular Weight | 712.449 | nRig | 33 |
Exact Molecular Weight | 782.482 | nRing | 6 |
Solubility: LogS | -3.267 | nHRing | 2 |
Solubility: LogP | 2.952 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 125 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 55 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 70 | 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 | 13 | No. of Arom Bond | 0 |
nHA | 13 | APOL | 127.242 |
nHD | 9 | BPOL | 77.1685 |
QED | 0.145 |
Synth | 6.009 |
Natural Product Likeliness | 2.773 |
NR-PPAR-gamma | 0.322 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.986 |
Pgp-sub | 0.017 |
HIA | 0.983 |
CACO-2 | -5.354 |
MDCK | 0.0000885 |
BBB | 0.078 |
PPB | 0.87291 |
VDSS | 0.605 |
FU | 0.0694833 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.345 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.079 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.129 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.05 |
CL | 0.804 |
T12 | 0.022 |
hERG | 0.004 |
Ames | 0.097 |
ROA | 0.336 |
SkinSen | 0.003 |
Carcinogencity | 0.019 |
EI | 0.002 |
Respiratory | 0.454 |
NR-Aromatase | 0.65 |
Antiviral | Yes |
Prediction | 0.855766 |