Chemoinformaics analysis of CODEINE
Molecular Weight | 299.37 | nRot | 1 |
Heavy Atom Molecular Weight | 278.202 | nRig | 22 |
Exact Molecular Weight | 299.152 | nRing | 5 |
Solubility: LogS | -1.809 | nHRing | 2 |
Solubility: LogP | 1.388 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 18 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 47.5687 |
nHD | 1 | BPOL | 26.2493 |
QED | 0.798 |
Synth | 5.161 |
Natural Product Likeliness | 2.269 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.059 |
HIA | 0.011 |
CACO-2 | -4.694 |
MDCK | 0.0000166 |
BBB | 0.996 |
PPB | 0.238446 |
VDSS | 2.787 |
FU | 0.662033 |
CYP1A2-inh | 0.054 |
CYP1A2-sub | 0.759 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.951 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.328 |
CYP2d6-inh | 0.887 |
CYP2d6-sub | 0.917 |
CYP3a4-inh | 0.022 |
CYP3a4-sub | 0.866 |
CL | 16.235 |
T12 | 0.277 |
hERG | 0.218 |
Ames | 0.016 |
ROA | 0.578 |
SkinSen | 0.554 |
Carcinogencity | 0.055 |
EI | 0.007 |
Respiratory | 0.938 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.71908 |