Chemoinformaics analysis of 2-O-METHYLXYLOSE
Molecular Weight | 164.157 | nRot | 5 |
Heavy Atom Molecular Weight | 152.061 | nRig | 1 |
Exact Molecular Weight | 164.068 | nRing | 0 |
Solubility: LogS | -0.052 | nHRing | 0 |
Solubility: LogP | -1.985 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 22.0315 |
nHD | 3 | BPOL | 14.6425 |
QED | 0.406 |
Synth | 3.9 |
Natural Product Likeliness | 2.052 |
NR-PPAR-gamma | 0.013 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.017 |
HIA | 0.685 |
CACO-2 | -5.167 |
MDCK | 0.00208208 |
BBB | 0.317 |
PPB | 0.254129 |
VDSS | 0.503 |
FU | 0.752593 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.074 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.105 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.082 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.126 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.043 |
CL | 2.819 |
T12 | 0.716 |
hERG | 0.063 |
Ames | 0.112 |
ROA | 0.011 |
SkinSen | 0.291 |
Carcinogencity | 0.007 |
EI | 0.289 |
Respiratory | 0.038 |
NR-Aromatase | 0.015 |
Antiviral | No |
Prediction | 0.928511 |