Chemoinformaics analysis of  5-(Beta-D-Xylopyranoside)-L-Arabinose


Molecular Weight 282.245 nRot 3
Heavy Atom Molecular Weight 264.101 nRig 11
Exact Molecular Weight 282.095 nRing 2
Solubility: LogS -0.018 nHRing 2
Solubility: LogP -2.884 No. of Aliphatic Rings 2
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 2
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 2
No. of Carbon atom 10 No. of Saturated Rings 2
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 6 BPOL 23.2657
QED 0.303
Synth 4.254
Natural Product Likeliness 2.57
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.811
HIA 0.965
CACO-2 -5.702
MDCK 0.000344574
BBB 0.475
PPB 0.126606
VDSS 0.321
FU 0.732309
CYP1A2-inh 0.002
CYP1A2-sub 0.033
CYP2c19-inh 0.01
CYP2c19-sub 0.069
CYP2c9-inh 0
CYP2c9-sub 0.136
CYP2d6-inh 0.003
CYP2d6-sub 0.12
CYP3a4-inh 0.004
CYP3a4-sub 0.004
CL 1.214
T12 0.589
hERG 0.051
Ames 0.309
ROA 0.228
SkinSen 0.027
Carcinogencity 0.02
EI 0.017
Respiratory 0.023
NR-Aromatase 0.007
Antiviral No
Prediction 0.764974