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 -0.387 nHRing 2
Solubility: LogP -2.234 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 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.003
Pgp-sub 0.993
HIA 0.89
CACO-2 -5.798
MDCK 0.000074
BBB 0.272
PPB 0.166203
VDSS 0.368
FU 0.694328
CYP1A2-inh 0.011
CYP1A2-sub 0.047
CYP2c19-inh 0.017
CYP2c19-sub 0.068
CYP2c9-inh 0.001
CYP2c9-sub 0.038
CYP2d6-inh 0.013
CYP2d6-sub 0.12
CYP3a4-inh 0.004
CYP3a4-sub 0.006
CL 1.004
T12 0.773
hERG 0.131
Ames 0.343
ROA 0.165
SkinSen 0.877
Carcinogencity 0.03
EI 0.443
Respiratory 0.135
NR-Aromatase 0.027
Antiviral No
Prediction 0.768504