Chemoinformaics analysis of ARABINOFURANOSYL-L-ARABINOSE
Molecular Weight | 282.245 | nRot | 6 |
Heavy Atom Molecular Weight | 264.101 | nRig | 6 |
Exact Molecular Weight | 282.095 | nRing | 1 |
Solubility: LogS | 0.24 | nHRing | 1 |
Solubility: LogP | -2.912 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 35.9203 |
nHD | 7 | BPOL | 20.6617 |
QED | 0.252 |
Synth | 4.257 |
Natural Product Likeliness | 1.859 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.008 |
Pgp-sub | 0.6 |
HIA | 0.839 |
CACO-2 | -5.59 |
MDCK | 0.000718347 |
BBB | 0.468 |
PPB | 0.126284 |
VDSS | 0.428 |
FU | 0.692202 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.018 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.083 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.09 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0.002 |
CL | 1.3 |
T12 | 0.801 |
hERG | 0.119 |
Ames | 0.067 |
ROA | 0.071 |
SkinSen | 0.022 |
Carcinogencity | 0.004 |
EI | 0.01 |
Respiratory | 0.013 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.744729 |