Chemoinformaics analysis of Nuciferine
Molecular Weight | 295.382 | nRot | 2 |
Heavy Atom Molecular Weight | 274.214 | nRig | 20 |
Exact Molecular Weight | 295.157 | nRing | 4 |
Solubility: LogS | -2.491 | nHRing | 1 |
Solubility: LogP | 3.155 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 2 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 48.4367 |
nHD | 0 | BPOL | 26.2493 |
QED | 0.847 |
Synth | 2.799 |
Natural Product Likeliness | 1.18 |
NR-PPAR-gamma | 0.012 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.821 |
Pgp-sub | 0.932 |
HIA | 0.003 |
CACO-2 | -4.539 |
MDCK | 0.0000244 |
BBB | 0.994 |
PPB | 0.852606 |
VDSS | 2.059 |
FU | 0.0664226 |
CYP1A2-inh | 0.613 |
CYP1A2-sub | 0.958 |
CYP2c19-inh | 0.14 |
CYP2c19-sub | 0.962 |
CYP2c9-inh | 0.014 |
CYP2c9-sub | 0.668 |
CYP2d6-inh | 0.724 |
CYP2d6-sub | 0.931 |
CYP3a4-inh | 0.074 |
CYP3a4-sub | 0.922 |
CL | 7.804 |
T12 | 0.268 |
hERG | 0.73 |
Ames | 0.557 |
ROA | 0.816 |
SkinSen | 0.215 |
Carcinogencity | 0.049 |
EI | 0.011 |
Respiratory | 0.905 |
NR-Aromatase | 0.051 |
Antiviral | Yes |
Prediction | 0.723683 |