Chemoinformaics analysis of Cannabidivarol
Molecular Weight | 286.415 | nRot | 4 |
Heavy Atom Molecular Weight | 260.207 | nRig | 13 |
Exact Molecular Weight | 286.193 | nRing | 2 |
Solubility: LogS | -2.991 | nHRing | 0 |
Solubility: LogP | 5.524 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | 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 | 50.6706 |
nHD | 2 | BPOL | 26.0834 |
QED | 0.759 |
Synth | 3.531 |
Natural Product Likeliness | 2.005 |
NR-PPAR-gamma | 0.73 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.99 |
Pgp-sub | 0.001 |
HIA | 0.005 |
CACO-2 | -4.694 |
MDCK | 0.0000177 |
BBB | 0.119 |
PPB | 0.986289 |
VDSS | 8.213 |
FU | 0.0087508 |
CYP1A2-inh | 0.787 |
CYP1A2-sub | 0.947 |
CYP2c19-inh | 0.904 |
CYP2c19-sub | 0.856 |
CYP2c9-inh | 0.757 |
CYP2c9-sub | 0.956 |
CYP2d6-inh | 0.81 |
CYP2d6-sub | 0.867 |
CYP3a4-inh | 0.508 |
CYP3a4-sub | 0.463 |
CL | 4.814 |
T12 | 0.142 |
hERG | 0.036 |
Ames | 0.097 |
ROA | 0.281 |
SkinSen | 0.515 |
Carcinogencity | 0.051 |
EI | 0.396 |
Respiratory | 0.885 |
NR-Aromatase | 0.366 |
Antiviral | No |
Prediction | 0.65247 |