Chemoinformaics analysis of Platyphylloside
Molecular Weight | 476.522 | nRot | 11 |
Heavy Atom Molecular Weight | 444.266 | nRig | 19 |
Exact Molecular Weight | 476.205 | nRing | 3 |
Solubility: LogS | -1.727 | nHRing | 1 |
Solubility: LogP | -0.053 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 66 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 2 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 25 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 9 | No. of Arom Bond | 12 |
nHA | 9 | APOL | 70.3054 |
nHD | 6 | BPOL | 36.4426 |
QED | 0.276 |
Synth | 3.912 |
Natural Product Likeliness | 1.646 |
NR-PPAR-gamma | 0.577 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.295 |
HIA | 0.977 |
CACO-2 | -5.689 |
MDCK | 0.0000121 |
BBB | 0.272 |
PPB | 0.749383 |
VDSS | 0.632 |
FU | 0.209183 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.04 |
CYP2c19-inh | 0.039 |
CYP2c19-sub | 0.128 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.906 |
CYP2d6-inh | 0.029 |
CYP2d6-sub | 0.846 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.103 |
CL | 5.238 |
T12 | 0.788 |
hERG | 0.121 |
Ames | 0.476 |
ROA | 0.537 |
SkinSen | 0.061 |
Carcinogencity | 0.228 |
EI | 0.009 |
Respiratory | 0.022 |
NR-Aromatase | 0.633 |
Antiviral | Yes |
Prediction | 0.906019 |