Chemoinformaics analysis of Baicalein-7-Beta-L-Rhamnoside
Molecular Weight | 416.382 | nRot | 3 |
Heavy Atom Molecular Weight | 396.222 | nRig | 24 |
Exact Molecular Weight | 416.111 | nRing | 4 |
Solubility: LogS | -3.615 | nHRing | 2 |
Solubility: LogP | 1.838 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 2 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 21 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 9 | No. of Arom Bond | 17 |
nHA | 9 | APOL | 55.6239 |
nHD | 5 | BPOL | 26.1401 |
QED | 0.395 |
Synth | 3.822 |
Natural Product Likeliness | 1.922 |
NR-PPAR-gamma | 0.974 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.01 |
Pgp-sub | 0.594 |
HIA | 0.574 |
CACO-2 | -5.783 |
MDCK | 0.0000115 |
BBB | 0.035 |
PPB | 0.868113 |
VDSS | 0.903 |
FU | 0.0918637 |
CYP1A2-inh | 0.059 |
CYP1A2-sub | 0.085 |
CYP2c19-inh | 0.015 |
CYP2c19-sub | 0.106 |
CYP2c9-inh | 0.023 |
CYP2c9-sub | 0.36 |
CYP2d6-inh | 0.014 |
CYP2d6-sub | 0.186 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.048 |
CL | 1.846 |
T12 | 0.505 |
hERG | 0.021 |
Ames | 0.575 |
ROA | 0.067 |
SkinSen | 0.22 |
Carcinogencity | 0.716 |
EI | 0.017 |
Respiratory | 0.081 |
NR-Aromatase | 0.889 |
Antiviral | Yes |
Prediction | 0.918858 |