Chemoinformaics analysis of 4-Methyl-2,6-naphthyridine
Molecular Weight | 144.177 | nRot | 0 |
Heavy Atom Molecular Weight | 136.113 | nRig | 11 |
Exact Molecular Weight | 144.069 | nRing | 2 |
Solubility: LogS | -0.32 | nHRing | 2 |
Solubility: LogP | 1.194 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 10 |
No. of Oxygen atom | 0 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 22.5643 |
nHD | 0 | BPOL | 10.3057 |
QED | 0.564 |
Synth | 2.26 |
Natural Product Likeliness | -0.459 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.007 |
HIA | 0.006 |
CACO-2 | -4.409 |
MDCK | 0.0000353 |
BBB | 0.951 |
PPB | 0.767308 |
VDSS | 1.979 |
FU | 0.400351 |
CYP1A2-inh | 0.981 |
CYP1A2-sub | 0.732 |
CYP2c19-inh | 0.622 |
CYP2c19-sub | 0.646 |
CYP2c9-inh | 0.055 |
CYP2c9-sub | 0.423 |
CYP2d6-inh | 0.396 |
CYP2d6-sub | 0.86 |
CYP3a4-inh | 0.921 |
CYP3a4-sub | 0.466 |
CL | 13.93 |
T12 | 0.725 |
hERG | 0.039 |
Ames | 0.03 |
ROA | 0.862 |
SkinSen | 0.949 |
Carcinogencity | 0.141 |
EI | 0.959 |
Respiratory | 0.874 |
NR-Aromatase | 0.936 |
Antiviral | No |
Prediction | 0.79736 |