Chemoinformaics analysis of 6-O-beta-D-Galactopyranosyl-D-galactose
Molecular Weight | 342.297 | nRot | 4 |
Heavy Atom Molecular Weight | 320.121 | nRig | 7 |
Exact Molecular Weight | 342.116 | nRing | 2 |
Solubility: LogS | -3.31 | nHRing | 2 |
Solubility: LogP | 3.225 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 2 |
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 | 8 | BPOL | 27.2786 |
QED | 0.531 |
Synth | 1.826 |
Natural Product Likeliness | -0.058 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.084 |
Pgp-sub | 0.008 |
HIA | 0.016 |
CACO-2 | -4.558 |
MDCK | 0.0000244 |
BBB | 0.991 |
PPB | 0.899553 |
VDSS | 0.592 |
FU | 0.203913 |
CYP1A2-inh | 0.954 |
CYP1A2-sub | 0.825 |
CYP2c19-inh | 0.774 |
CYP2c19-sub | 0.85 |
CYP2c9-inh | 0.559 |
CYP2c9-sub | 0.707 |
CYP2d6-inh | 0.236 |
CYP2d6-sub | 0.68 |
CYP3a4-inh | 0.201 |
CYP3a4-sub | 0.487 |
CL | 3.375 |
T12 | 0.51 |
hERG | 0.006 |
Ames | 0.031 |
ROA | 0.051 |
SkinSen | 0.313 |
Carcinogencity | 0.528 |
EI | 0.974 |
Respiratory | 0.222 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.777474 |