Chemoinformaics analysis of 2-O-METHYLPENTOFURANOSE


Molecular Weight 164.157 nRot 2
Heavy Atom Molecular Weight 152.061 nRig 5
Exact Molecular Weight 164.068 nRing 1
Solubility: LogS 0.227 nHRing 1
Solubility: LogP -1.903 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 1
No. of Carbon atom 6 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 22.0315
nHD 3 BPOL 15.5105
QED 0.443
Synth 3.621
Natural Product Likeliness 3.008
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.027
HIA 0.707
CACO-2 -5.197
MDCK 0.00098007
BBB 0.385
PPB 0.102683
VDSS 0.681
FU 0.853715
CYP1A2-inh 0.009
CYP1A2-sub 0.104
CYP2c19-inh 0.01
CYP2c19-sub 0.635
CYP2c9-inh 0.002
CYP2c9-sub 0.076
CYP2d6-inh 0.003
CYP2d6-sub 0.192
CYP3a4-inh 0.006
CYP3a4-sub 0.054
CL 2.05
T12 0.692
hERG 0.03
Ames 0.423
ROA 0.205
SkinSen 0.112
Carcinogencity 0.026
EI 0.073
Respiratory 0.025
NR-Aromatase 0.007
Antiviral No
Prediction 0.925241