Chemoinformaics analysis of Pyridine, 3-(5-(p-methoxyphenyl)-2-oxazolyl)-


Molecular Weight 252.273 nRot 3
Heavy Atom Molecular Weight 240.177 nRig 17
Exact Molecular Weight 252.09 nRing 3
Solubility: LogS -3.537 nHRing 2
Solubility: LogP 3.168 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 17
No. of Oxygen atom 2 No. of Arom Bond 17
nHA 4 APOL 36.8555
nHD 0 BPOL 17.7905
QED 0.716
Synth 1.942
Natural Product Likeliness -1.038
NR-PPAR-gamma 0.03
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.978
Pgp-sub 0.002
HIA 0.006
CACO-2 -4.453
MDCK 0.0000175
BBB 0.801
PPB 0.936869
VDSS 2.973
FU 0.0588828
CYP1A2-inh 0.986
CYP1A2-sub 0.608
CYP2c19-inh 0.945
CYP2c19-sub 0.064
CYP2c9-inh 0.62
CYP2c9-sub 0.884
CYP2d6-inh 0.9
CYP2d6-sub 0.865
CYP3a4-inh 0.96
CYP3a4-sub 0.25
CL 8.01
T12 0.27
hERG 0.115
Ames 0.014
ROA 0.39
SkinSen 0.182
Carcinogencity 0.707
EI 0.171
Respiratory 0.251
NR-Aromatase 0.974
Antiviral Yes
Prediction 0.529843