Chemoinformaics analysis of Copsamine
Molecular Weight | 285.391 | nRot | 7 |
Heavy Atom Molecular Weight | 262.207 | nRig | 12 |
Exact Molecular Weight | 285.184 | nRing | 2 |
Solubility: LogS | -3.08 | nHRing | 1 |
Solubility: LogP | 2.959 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 12 |
No. of Oxygen atom | 1 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 47.8282 |
nHD | 0 | BPOL | 29.3698 |
QED | 0.782 |
Synth | 2.001 |
Natural Product Likeliness | -1.159 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.106 |
HIA | 0.006 |
CACO-2 | -4.464 |
MDCK | 0.0000149 |
BBB | 0.992 |
PPB | 0.734661 |
VDSS | 2.908 |
FU | 0.333429 |
CYP1A2-inh | 0.319 |
CYP1A2-sub | 0.888 |
CYP2c19-inh | 0.15 |
CYP2c19-sub | 0.968 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.363 |
CYP2d6-inh | 0.878 |
CYP2d6-sub | 0.925 |
CYP3a4-inh | 0.035 |
CYP3a4-sub | 0.439 |
CL | 9.276 |
T12 | 0.324 |
hERG | 0.792 |
Ames | 0.009 |
ROA | 0.5 |
SkinSen | 0.87 |
Carcinogencity | 0.12 |
EI | 0.02 |
Respiratory | 0.987 |
NR-Aromatase | 0.012 |
Antiviral | Yes |
Prediction | 0.64821 |