Chemoinformaics analysis of CANNOGENIN
Molecular Weight | 388.504 | nRot | 2 |
Heavy Atom Molecular Weight | 356.248 | nRig | 26 |
Exact Molecular Weight | 388.225 | nRing | 5 |
Solubility: LogS | -4.244 | nHRing | 1 |
Solubility: LogP | 2.137 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 60 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 63.7574 |
nHD | 2 | BPOL | 35.5746 |
QED | 0.671 |
Synth | 4.916 |
Natural Product Likeliness | 2.863 |
NR-PPAR-gamma | 0.924 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.056 |
HIA | 0.226 |
CACO-2 | -5.057 |
MDCK | 0.0000189 |
BBB | 0.99 |
PPB | 0.77093 |
VDSS | 1.013 |
FU | 0.0780547 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.445 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.367 |
CYP2c9-inh | 0.063 |
CYP2c9-sub | 0.686 |
CYP2d6-inh | 0.07 |
CYP2d6-sub | 0.267 |
CYP3a4-inh | 0.74 |
CYP3a4-sub | 0.188 |
CL | 17.586 |
T12 | 0.113 |
hERG | 0.051 |
Ames | 0.014 |
ROA | 0.953 |
SkinSen | 0.601 |
Carcinogencity | 0.486 |
EI | 0.012 |
Respiratory | 0.939 |
NR-Aromatase | 0.716 |
Antiviral | Yes |
Prediction | 0.614187 |