Chemoinformaics analysis of  Cycloprotobuxine-D
Molecular Weight | 386.668 | nRot | 3 |
Heavy Atom Molecular Weight | 340.3 | nRig | 22 |
Exact Molecular Weight | 386.366 | nRing | 5 |
Solubility: LogS | -4.161 | nHRing | 0 |
Solubility: LogP | 4.836 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 74 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 26 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 76.2925 |
nHD | 2 | BPOL | 47.2875 |
QED | 0.657 |
Synth | 5.58 |
Natural Product Likeliness | 2.979 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.025 |
Pgp-sub | 0 |
HIA | 0.2 |
CACO-2 | -5.294 |
MDCK | 0.00000879 |
BBB | 0.196 |
PPB | 0.705997 |
VDSS | 0.892 |
FU | 0.225684 |
CYP1A2-inh | 0.013 |
CYP1A2-sub | 0.419 |
CYP2c19-inh | 0.051 |
CYP2c19-sub | 0.967 |
CYP2c9-inh | 0.065 |
CYP2c9-sub | 0.096 |
CYP2d6-inh | 0.651 |
CYP2d6-sub | 0.919 |
CYP3a4-inh | 0.599 |
CYP3a4-sub | 0.806 |
CL | 10.717 |
T12 | 0.018 |
hERG | 0.11 |
Ames | 0.009 |
ROA | 0.259 |
SkinSen | 0.227 |
Carcinogencity | 0.019 |
EI | 0.004 |
Respiratory | 0.962 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.763687 |