Chemoinformaics analysis of 2-OXOPYRROLIDINE-1-CARBOXAMIDE


Molecular Weight 128.131 nRot 0
Heavy Atom Molecular Weight 120.067 nRig 7
Exact Molecular Weight 128.059 nRing 1
Solubility: LogS -2.505 nHRing 1
Solubility: LogP 2.046 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 17 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 1
No. of Carbon atom 5 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 17.4883
nHD 1 BPOL 10.9017
QED 0.56
Synth 1.87
Natural Product Likeliness 0.517
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.806
Pgp-sub 0.002
HIA 0.002
CACO-2 -4.519
MDCK 0.0000309
BBB 0.959
PPB 0.517181
VDSS 0.812
FU 0.209853
CYP1A2-inh 0.925
CYP1A2-sub 0.677
CYP2c19-inh 0.802
CYP2c19-sub 0.886
CYP2c9-inh 0.185
CYP2c9-sub 0.795
CYP2d6-inh 0.076
CYP2d6-sub 0.883
CYP3a4-inh 0.383
CYP3a4-sub 0.673
CL 7.404
T12 0.859
hERG 0.077
Ames 0.031
ROA 0.009
SkinSen 0.673
Carcinogencity 0.058
EI 0.784
Respiratory 0.047
NR-Aromatase 0.455
Antiviral No
Prediction 0.96017