Chemoinformaics analysis of dl-Nornuciferine
Molecular Weight | 281.355 | nRot | 2 |
Heavy Atom Molecular Weight | 262.203 | nRig | 20 |
Exact Molecular Weight | 281.142 | nRing | 4 |
Solubility: LogS | -2.1 | nHRing | 1 |
Solubility: LogP | 2.501 | 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 | 0.024 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.499 |
Pgp-sub | 0.991 |
HIA | 0.003 |
CACO-2 | -4.923 |
MDCK | 0.0000187 |
BBB | 0.992 |
PPB | 0.704561 |
VDSS | 2.279 |
FU | 0.102882 |
CYP1A2-inh | 0.713 |
CYP1A2-sub | 0.929 |
CYP2c19-inh | 0.285 |
CYP2c19-sub | 0.914 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.563 |
CYP2d6-inh | 0.763 |
CYP2d6-sub | 0.926 |
CYP3a4-inh | 0.14 |
CYP3a4-sub | 0.896 |
CL | 4.667 |
T12 | 0.239 |
hERG | 0.647 |
Ames | 0.414 |
ROA | 0.891 |
SkinSen | 0.269 |
Carcinogencity | 0.059 |
EI | 0.012 |
Respiratory | 0.935 |
NR-Aromatase | 0.591 |
Antiviral | Yes |
Prediction | 0.706455 |