Chemoinformaics analysis of Nornuciferine
Molecular Weight | 281.355 | nRot | 2 |
Heavy Atom Molecular Weight | 262.203 | nRig | 20 |
Exact Molecular Weight | 281.142 | nRing | 4 |
Solubility: LogS | -1.808 | nHRing | 1 |
Solubility: LogP | 2.757 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | 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 | 45.4331 |
nHD | 1 | BPOL | 23.1029 |
QED | 0.917 |
Synth | 2.868 |
Natural Product Likeliness | 1.432 |
NR-PPAR-gamma | 0.025 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.206 |
Pgp-sub | 0.955 |
HIA | 0.003 |
CACO-2 | -4.752 |
MDCK | 0.0000185 |
BBB | 0.986 |
PPB | 0.775676 |
VDSS | 2.416 |
FU | 0.0907708 |
CYP1A2-inh | 0.632 |
CYP1A2-sub | 0.923 |
CYP2c19-inh | 0.225 |
CYP2c19-sub | 0.912 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.523 |
CYP2d6-inh | 0.758 |
CYP2d6-sub | 0.925 |
CYP3a4-inh | 0.097 |
CYP3a4-sub | 0.907 |
CL | 3.29 |
T12 | 0.2 |
hERG | 0.755 |
Ames | 0.513 |
ROA | 0.863 |
SkinSen | 0.296 |
Carcinogencity | 0.039 |
EI | 0.01 |
Respiratory | 0.909 |
NR-Aromatase | 0.514 |
Antiviral | Yes |
Prediction | 0.706455 |