Chemoinformaics analysis of CANNABIGEROVARIN
Molecular Weight | 288.431 | nRot | 7 |
Heavy Atom Molecular Weight | 260.207 | nRig | 8 |
Exact Molecular Weight | 288.209 | nRing | 1 |
Solubility: LogS | -3.664 | nHRing | 0 |
Solubility: LogP | 6.958 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | 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 | 28 | 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 | 52.0042 |
nHD | 2 | BPOL | 28.0898 |
QED | 0.67 |
Synth | 2.702 |
Natural Product Likeliness | 1.892 |
NR-PPAR-gamma | 0.807 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.899 |
Pgp-sub | 0.003 |
HIA | 0.005 |
CACO-2 | -4.747 |
MDCK | 0.0000229 |
BBB | 0.138 |
PPB | 0.989755 |
VDSS | 8.451 |
FU | 0.0252061 |
CYP1A2-inh | 0.963 |
CYP1A2-sub | 0.243 |
CYP2c19-inh | 0.906 |
CYP2c19-sub | 0.177 |
CYP2c9-inh | 0.783 |
CYP2c9-sub | 0.965 |
CYP2d6-inh | 0.918 |
CYP2d6-sub | 0.678 |
CYP3a4-inh | 0.389 |
CYP3a4-sub | 0.158 |
CL | 14.214 |
T12 | 0.386 |
hERG | 0.039 |
Ames | 0.011 |
ROA | 0.039 |
SkinSen | 0.926 |
Carcinogencity | 0.078 |
EI | 0.856 |
Respiratory | 0.151 |
NR-Aromatase | 0.404 |
Antiviral | Yes |
Prediction | 0.735864 |