Chemoinformaics analysis of 6-METHYL-3,4-DIHYDROPYRANO[3,4-C]PYRIDIN-1-ONE


Molecular Weight 163.176 nRot 0
Heavy Atom Molecular Weight 154.104 nRig 25
Exact Molecular Weight 163.063 nRing 2
Solubility: LogS -1.538 nHRing 2
Solubility: LogP -0.754 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 3 APOL 23.7351
nHD 0 BPOL 12.7729
QED 0.193
Synth 4.887
Natural Product Likeliness 2.74
NR-PPAR-gamma 0.005
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.48
HIA 0.945
CACO-2 -6.219
MDCK 0.000134789
BBB 0.523
PPB 0.274067
VDSS 0.384
FU 0.497392
CYP1A2-inh 0.006
CYP1A2-sub 0.034
CYP2c19-inh 0.008
CYP2c19-sub 0.073
CYP2c9-inh 0.001
CYP2c9-sub 0.08
CYP2d6-inh 0.003
CYP2d6-sub 0.141
CYP3a4-inh 0.034
CYP3a4-sub 0.089
CL 1.953
T12 0.464
hERG 0.047
Ames 0.074
ROA 0.921
SkinSen 0.016
Carcinogencity 0.795
EI 0.005
Respiratory 0.403
NR-Aromatase 0.017
Antiviral No
Prediction 0.871584