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