Chemoinformaics analysis of Cannabigerol
Molecular Weight | 316.485 | nRot | 9 |
Heavy Atom Molecular Weight | 284.229 | nRig | 8 |
Exact Molecular Weight | 316.24 | nRing | 1 |
Solubility: LogS | -3.761 | nHRing | 0 |
Solubility: LogP | 7.746 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 58.0114 |
nHD | 2 | BPOL | 32.1026 |
QED | 0.429 |
Synth | 2.648 |
Natural Product Likeliness | 1.881 |
NR-PPAR-gamma | 0.928 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.747 |
Pgp-sub | 0.002 |
HIA | 0.006 |
CACO-2 | -4.799 |
MDCK | 0.0000212 |
BBB | 0.157 |
PPB | 0.991712 |
VDSS | 8.867 |
FU | 0.0251034 |
CYP1A2-inh | 0.938 |
CYP1A2-sub | 0.195 |
CYP2c19-inh | 0.874 |
CYP2c19-sub | 0.157 |
CYP2c9-inh | 0.612 |
CYP2c9-sub | 0.969 |
CYP2d6-inh | 0.899 |
CYP2d6-sub | 0.501 |
CYP3a4-inh | 0.381 |
CYP3a4-sub | 0.137 |
CL | 11.817 |
T12 | 0.241 |
hERG | 0.042 |
Ames | 0.011 |
ROA | 0.034 |
SkinSen | 0.939 |
Carcinogencity | 0.064 |
EI | 0.901 |
Respiratory | 0.213 |
NR-Aromatase | 0.735 |
Antiviral | Yes |
Prediction | 0.535072 |