Chemoinformaics analysis of Bulbocapnine
Molecular Weight | 325.364 | nRot | 1 |
Heavy Atom Molecular Weight | 306.212 | nRig | 24 |
Exact Molecular Weight | 325.131 | nRing | 5 |
Solubility: LogS | -2.055 | nHRing | 2 |
Solubility: LogP | 2.63 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 48.7071 |
nHD | 1 | BPOL | 25.9789 |
QED | 0.874 |
Synth | 3.26 |
Natural Product Likeliness | 1.739 |
NR-PPAR-gamma | 0.017 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.021 |
Pgp-sub | 0.268 |
HIA | 0.002 |
CACO-2 | -4.729 |
MDCK | 0.0000234 |
BBB | 0.966 |
PPB | 0.953534 |
VDSS | 1.714 |
FU | 0.0490828 |
CYP1A2-inh | 0.731 |
CYP1A2-sub | 0.902 |
CYP2c19-inh | 0.257 |
CYP2c19-sub | 0.861 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.674 |
CYP2d6-inh | 0.566 |
CYP2d6-sub | 0.927 |
CYP3a4-inh | 0.424 |
CYP3a4-sub | 0.901 |
CL | 15.636 |
T12 | 0.24 |
hERG | 0.592 |
Ames | 0.769 |
ROA | 0.636 |
SkinSen | 0.398 |
Carcinogencity | 0.661 |
EI | 0.01 |
Respiratory | 0.848 |
NR-Aromatase | 0.023 |
Antiviral | Yes |
Prediction | 0.80011 |