Chemoinformaics analysis of Galactinol
Molecular Weight | 342.297 | nRot | 3 |
Heavy Atom Molecular Weight | 320.121 | nRig | 12 |
Exact Molecular Weight | 342.116 | nRing | 2 |
Solubility: LogS | 0.11 | nHRing | 1 |
Solubility: LogP | -3.49 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 12 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 11 | No. of Arom Bond | 0 |
nHA | 11 | APOL | 43.5314 |
nHD | 9 | BPOL | 25.5426 |
QED | 0.236 |
Synth | 4.126 |
Natural Product Likeliness | 1.808 |
NR-PPAR-gamma | 0.004 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.851 |
HIA | 0.995 |
CACO-2 | -5.784 |
MDCK | 0.000532976 |
BBB | 0.533 |
PPB | 0.143349 |
VDSS | 0.272 |
FU | 0.576632 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.008 |
CYP2c19-inh | 0.002 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.068 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.076 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0.001 |
CL | 1.205 |
T12 | 0.551 |
hERG | 0.088 |
Ames | 0.088 |
ROA | 0.049 |
SkinSen | 0.01 |
Carcinogencity | 0.006 |
EI | 0.007 |
Respiratory | 0.019 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.807286 |