Chemoinformaics analysis of meloside
Molecular Weight | 128.215 | nRot | 0 |
Heavy Atom Molecular Weight | 112.087 | nRig | 16 |
Exact Molecular Weight | 128.12 | nRing | 1 |
Solubility: LogS | -3.37 | nHRing | 0 |
Solubility: LogP | 2.969 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 24.8307 |
nHD | 1 | BPOL | 16.0513 |
QED | 0.684 |
Synth | 4.616 |
Natural Product Likeliness | 3.496 |
NR-PPAR-gamma | 0.205 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.18 |
Pgp-sub | 0.019 |
HIA | 0.011 |
CACO-2 | -4.69 |
MDCK | 0.0000172 |
BBB | 0.816 |
PPB | 0.835519 |
VDSS | 1.111 |
FU | 0.123987 |
CYP1A2-inh | 0.027 |
CYP1A2-sub | 0.13 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.796 |
CYP2c9-inh | 0.145 |
CYP2c9-sub | 0.422 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.507 |
CYP3a4-inh | 0.097 |
CYP3a4-sub | 0.181 |
CL | 11.332 |
T12 | 0.158 |
hERG | 0.004 |
Ames | 0.024 |
ROA | 0.084 |
SkinSen | 0.034 |
Carcinogencity | 0.027 |
EI | 0.014 |
Respiratory | 0.911 |
NR-Aromatase | 0.319 |
Antiviral | No |
Prediction | 0.951497 |