Chemoinformaics analysis of N-norarmepavine
Molecular Weight | 299.37 | nRot | 4 |
Heavy Atom Molecular Weight | 278.202 | nRig | 17 |
Exact Molecular Weight | 299.152 | nRing | 3 |
Solubility: LogS | -1.66 | nHRing | 1 |
Solubility: LogP | 2.113 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | 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 | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 47.5687 |
nHD | 2 | BPOL | 25.1093 |
QED | 0.911 |
Synth | 2.601 |
Natural Product Likeliness | 1.046 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.013 |
Pgp-sub | 0.248 |
HIA | 0.005 |
CACO-2 | -4.865 |
MDCK | 0.0000158 |
BBB | 0.547 |
PPB | 0.513155 |
VDSS | 2.361 |
FU | 0.252017 |
CYP1A2-inh | 0.223 |
CYP1A2-sub | 0.941 |
CYP2c19-inh | 0.356 |
CYP2c19-sub | 0.895 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.648 |
CYP2d6-inh | 0.818 |
CYP2d6-sub | 0.933 |
CYP3a4-inh | 0.04 |
CYP3a4-sub | 0.899 |
CL | 9.034 |
T12 | 0.81 |
hERG | 0.554 |
Ames | 0.111 |
ROA | 0.828 |
SkinSen | 0.615 |
Carcinogencity | 0.063 |
EI | 0.01 |
Respiratory | 0.921 |
NR-Aromatase | 0.404 |
Antiviral | Yes |
Prediction | 0.655232 |