Chemoinformaics analysis of Codamine
Molecular Weight | 343.423 | nRot | 5 |
Heavy Atom Molecular Weight | 318.223 | nRig | 17 |
Exact Molecular Weight | 343.178 | nRing | 3 |
Solubility: LogS | -2.556 | nHRing | 1 |
Solubility: LogP | 2.359 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 54.3778 |
nHD | 1 | BPOL | 31.9982 |
QED | 0.904 |
Synth | 2.685 |
Natural Product Likeliness | 0.928 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.79 |
Pgp-sub | 0.985 |
HIA | 0.005 |
CACO-2 | -4.773 |
MDCK | 0.0000239 |
BBB | 0.971 |
PPB | 0.671395 |
VDSS | 1.743 |
FU | 0.201335 |
CYP1A2-inh | 0.225 |
CYP1A2-sub | 0.968 |
CYP2c19-inh | 0.189 |
CYP2c19-sub | 0.949 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.698 |
CYP2d6-inh | 0.394 |
CYP2d6-sub | 0.95 |
CYP3a4-inh | 0.113 |
CYP3a4-sub | 0.926 |
CL | 13.738 |
T12 | 0.846 |
hERG | 0.475 |
Ames | 0.087 |
ROA | 0.669 |
SkinSen | 0.742 |
Carcinogencity | 0.072 |
EI | 0.012 |
Respiratory | 0.927 |
NR-Aromatase | 0.057 |
Antiviral | Yes |
Prediction | 0.53714 |