Chemoinformaics analysis of Nudiflorine
Molecular Weight | 134.138 | nRot | 0 |
Heavy Atom Molecular Weight | 128.09 | nRig | 8 |
Exact Molecular Weight | 134.048 | nRing | 1 |
Solubility: LogS | -0.396 | nHRing | 1 |
Solubility: LogP | -0.067 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 18.6928 |
nHD | 0 | BPOL | 9.16724 |
QED | 0.51 |
Synth | 2.389 |
Natural Product Likeliness | -1.465 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.006 |
CACO-2 | -4.591 |
MDCK | 0.0000237 |
BBB | 0.45 |
PPB | 0.20876 |
VDSS | 0.824 |
FU | 0.731835 |
CYP1A2-inh | 0.515 |
CYP1A2-sub | 0.942 |
CYP2c19-inh | 0.046 |
CYP2c19-sub | 0.23 |
CYP2c9-inh | 0.013 |
CYP2c9-sub | 0.308 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.412 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.481 |
CL | 6.264 |
T12 | 0.809 |
hERG | 0.028 |
Ames | 0.23 |
ROA | 0.406 |
SkinSen | 0.144 |
Carcinogencity | 0.877 |
EI | 0.804 |
Respiratory | 0.054 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.824735 |