Chemoinformaics analysis of 2-O-beta-L-Arabinofuranosyl-L-arabinose


Molecular Weight 282.245 nRot 2
Heavy Atom Molecular Weight 264.101 nRig 12
Exact Molecular Weight 282.095 nRing 2
Solubility: LogS -0.009 nHRing 2
Solubility: LogP -2.827 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 0.297
Synth 4.415
Natural Product Likeliness 1.995
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.84
HIA 0.968
CACO-2 -5.761
MDCK 0.000322438
BBB 0.51
PPB 0.11856
VDSS 0.3
FU 0.718281
CYP1A2-inh 0.002
CYP1A2-sub 0.03
CYP2c19-inh 0.009
CYP2c19-sub 0.065
CYP2c9-inh 0
CYP2c9-sub 0.124
CYP2d6-inh 0.002
CYP2d6-sub 0.116
CYP3a4-inh 0.004
CYP3a4-sub 0.004
CL 1.228
T12 0.566
hERG 0.037
Ames 0.217
ROA 0.124
SkinSen 0.027
Carcinogencity 0.023
EI 0.015
Respiratory 0.025
NR-Aromatase 0.007
Antiviral No
Prediction 0.768504