Chemoinformaics analysis of 3-METHOXY-PYRIDINE


Molecular Weight 109.128 nRot 1
Heavy Atom Molecular Weight 102.072 nRig 6
Exact Molecular Weight 109.053 nRing 1
Solubility: LogS 0.695 nHRing 1
Solubility: LogP 0.896 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 15 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 2 APOL 16.5896
nHD 0 BPOL 9.89845
QED 0.538
Synth 1.596
Natural Product Likeliness -1.207
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.1
MDCK 0.0000351
BBB 0.839
PPB 0.36536
VDSS 1.329
FU 0.499325
CYP1A2-inh 0.808
CYP1A2-sub 0.774
CYP2c19-inh 0.468
CYP2c19-sub 0.876
CYP2c9-inh 0.041
CYP2c9-sub 0.718
CYP2d6-inh 0.177
CYP2d6-sub 0.851
CYP3a4-inh 0.233
CYP3a4-sub 0.333
CL 10.927
T12 0.822
hERG 0.034
Ames 0.02
ROA 0.52
SkinSen 0.934
Carcinogencity 0.497
EI 0.992
Respiratory 0.721
NR-Aromatase 0.028
Antiviral No
Prediction 0.904349