Chemoinformaics analysis of Flavoplatycoside
Molecular Weight | 612.537 | nRot | 6 |
Heavy Atom Molecular Weight | 580.281 | nRig | 30 |
Exact Molecular Weight | 612.169 | nRing | 5 |
Solubility: LogS | -0.958 | nHRing | 3 |
Solubility: LogP | -0.698 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 75 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 43 | No. of Aromatic Carbocycles | 2 |
nHetero | 16 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 27 | 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 | 79.2594 |
nHD | 10 | BPOL | 41.6506 |
QED | 0.152 |
Synth | 5.068 |
Natural Product Likeliness | 1.868 |
NR-PPAR-gamma | 0.049 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.999 |
HIA | 0.833 |
CACO-2 | -6.756 |
MDCK | 0.0000379 |
BBB | 0.063 |
PPB | 0.784071 |
VDSS | 0.307 |
FU | 0.164914 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.03 |
CYP2c19-inh | 0.028 |
CYP2c19-sub | 0.069 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.399 |
CYP2d6-inh | 0.014 |
CYP2d6-sub | 0.143 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.019 |
CL | 1.181 |
T12 | 0.6 |
hERG | 0.051 |
Ames | 0.486 |
ROA | 0.066 |
SkinSen | 0.933 |
Carcinogencity | 0.039 |
EI | 0.281 |
Respiratory | 0.064 |
NR-Aromatase | 0.7 |
Antiviral | Yes |
Prediction | 0.782026 |