Chemoinformaics analysis of Momordicoside K
Molecular Weight | 648.878 | nRot | 9 |
Heavy Atom Molecular Weight | 588.398 | nRig | 28 |
Exact Molecular Weight | 648.424 | nRing | 5 |
Solubility: LogS | -3.696 | nHRing | 1 |
Solubility: LogP | 3.283 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 106 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 60 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 37 | 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 | 109.016 |
nHD | 5 | BPOL | 66.2684 |
QED | 0.185 |
Synth | 5.817 |
Natural Product Likeliness | 3.338 |
NR-PPAR-gamma | 0.83 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.327 |
Pgp-sub | 0.025 |
HIA | 0.771 |
CACO-2 | -4.844 |
MDCK | 0.0000266 |
BBB | 0.87 |
PPB | 0.752561 |
VDSS | 1.772 |
FU | 0.146381 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.272 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.79 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.113 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.18 |
CYP3a4-inh | 0.54 |
CYP3a4-sub | 0.35 |
CL | 1.827 |
T12 | 0.022 |
hERG | 0.004 |
Ames | 0.086 |
ROA | 0.782 |
SkinSen | 0.012 |
Carcinogencity | 0.053 |
EI | 0.004 |
Respiratory | 0.942 |
NR-Aromatase | 0.924 |
Antiviral | Yes |
Prediction | 0.852967 |