Chemoinformaics analysis of PYRIDINE
Molecular Weight | 79.102 | nRot | 0 |
Heavy Atom Molecular Weight | 74.062 | nRig | 6 |
Exact Molecular Weight | 79.0422 | nRing | 1 |
Solubility: LogS | 1.028 | nHRing | 1 |
Solubility: LogP | 0.658 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 11 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 6 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 0 | No. of Arom Bond | 6 |
nHA | 1 | APOL | 12.784 |
nHD | 0 | BPOL | 6.15603 |
QED | 0.453 |
Synth | 1.372 |
Natural Product Likeliness | -1.138 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.019 |
HIA | 0.008 |
CACO-2 | -3.931 |
MDCK | 0.0000418 |
BBB | 0.651 |
PPB | 0.166518 |
VDSS | 1.782 |
FU | 0.739039 |
CYP1A2-inh | 0.508 |
CYP1A2-sub | 0.508 |
CYP2c19-inh | 0.158 |
CYP2c19-sub | 0.698 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.163 |
CYP2d6-inh | 0.059 |
CYP2d6-sub | 0.306 |
CYP3a4-inh | 0.046 |
CYP3a4-sub | 0.302 |
CL | 10.046 |
T12 | 0.749 |
hERG | 0.032 |
Ames | 0.069 |
ROA | 0.743 |
SkinSen | 0.931 |
Carcinogencity | 0.395 |
EI | 0.997 |
Respiratory | 0.894 |
NR-Aromatase | 0.02 |
Antiviral | No |
Prediction | 0.873849 |