Chemoinformaics analysis of Plantamajoside
Molecular Weight | 640.591 | nRot | 11 |
Heavy Atom Molecular Weight | 604.303 | nRig | 26 |
Exact Molecular Weight | 640.2 | nRing | 4 |
Solubility: LogS | -1.821 | nHRing | 2 |
Solubility: LogP | -0.346 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 81 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 45 | No. of Aromatic Carbocycles | 2 |
nHetero | 16 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 36 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 29 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 16 | No. of Arom Bond | 12 |
nHA | 16 | APOL | 85.2665 |
nHD | 10 | BPOL | 45.6635 |
QED | 0.072 |
Synth | 4.738 |
Natural Product Likeliness | 1.614 |
NR-PPAR-gamma | 0.117 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.973 |
HIA | 0.995 |
CACO-2 | -6.656 |
MDCK | 0.0000245 |
BBB | 0.12 |
PPB | 0.93192 |
VDSS | 0.308 |
FU | 0.0914081 |
CYP1A2-inh | 0.09 |
CYP1A2-sub | 0.01 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.049 |
CYP2c9-inh | 0.034 |
CYP2c9-sub | 0.13 |
CYP2d6-inh | 0.02 |
CYP2d6-sub | 0.149 |
CYP3a4-inh | 0.049 |
CYP3a4-sub | 0.017 |
CL | 1.431 |
T12 | 0.853 |
hERG | 0.132 |
Ames | 0.339 |
ROA | 0.05 |
SkinSen | 0.962 |
Carcinogencity | 0.031 |
EI | 0.026 |
Respiratory | 0.014 |
NR-Aromatase | 0.846 |
Antiviral | Yes |
Prediction | 0.719689 |