Chemoinformaics analysis of pyridoxine
Molecular Weight | 169.18 | nRot | 2 |
Heavy Atom Molecular Weight | 158.092 | nRig | 6 |
Exact Molecular Weight | 169.074 | nRing | 1 |
Solubility: LogS | -0.579 | nHRing | 1 |
Solubility: LogP | -0.426 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 24.2007 |
nHD | 3 | BPOL | 12.1753 |
QED | 0.586 |
Synth | 2.549 |
Natural Product Likeliness | 0.636 |
NR-PPAR-gamma | 0.023 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.015 |
CACO-2 | -4.769 |
MDCK | 0.00000679 |
BBB | 0.069 |
PPB | 0.101765 |
VDSS | 1.128 |
FU | 0.735413 |
CYP1A2-inh | 0.053 |
CYP1A2-sub | 0.15 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.191 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.156 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.395 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.171 |
CL | 6.201 |
T12 | 0.935 |
hERG | 0.022 |
Ames | 0.123 |
ROA | 0.023 |
SkinSen | 0.701 |
Carcinogencity | 0.117 |
EI | 0.079 |
Respiratory | 0.048 |
NR-Aromatase | 0.388 |
Antiviral | No |
Prediction | 0.859597 |