Chemoinformaics analysis of CANNABICHROMENIC-ACID
Molecular Weight | 358.478 | nRot | 8 |
Heavy Atom Molecular Weight | 328.238 | nRig | 14 |
Exact Molecular Weight | 358.214 | nRing | 2 |
Solubility: LogS | -3.487 | nHRing | 1 |
Solubility: LogP | 6.774 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 59.9518 |
nHD | 2 | BPOL | 32.7002 |
QED | 0.568 |
Synth | 4.158 |
Natural Product Likeliness | 1.714 |
NR-PPAR-gamma | 0.978 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.019 |
Pgp-sub | 0.004 |
HIA | 0.013 |
CACO-2 | -4.775 |
MDCK | 0.0000265 |
BBB | 0.078 |
PPB | 0.977431 |
VDSS | 1.776 |
FU | 0.0445035 |
CYP1A2-inh | 0.388 |
CYP1A2-sub | 0.254 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.296 |
CYP2c9-inh | 0.268 |
CYP2c9-sub | 0.284 |
CYP2d6-inh | 0.373 |
CYP2d6-sub | 0.122 |
CYP3a4-inh | 0.096 |
CYP3a4-sub | 0.038 |
CL | 2.05 |
T12 | 0.357 |
hERG | 0.068 |
Ames | 0.003 |
ROA | 0.064 |
SkinSen | 0.662 |
Carcinogencity | 0.35 |
EI | 0.042 |
Respiratory | 0.747 |
NR-Aromatase | 0.04 |
Antiviral | No |
Prediction | 0.722002 |