Chemoinformaics analysis of L-AZETIDINE-2-CARBOXYLIC-ACID


Molecular Weight 101.105 nRot 1
Heavy Atom Molecular Weight 94.049 nRig 5
Exact Molecular Weight 101.048 nRing 1
Solubility: LogS -0.884 nHRing 1
Solubility: LogP -2.699 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 14 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 7 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 1
No. of Carbon atom 4 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 14.0516
nHD 2 BPOL 8.46045
QED 0.465
Synth 2.736
Natural Product Likeliness 1.288
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.002
HIA 0.14
CACO-2 -5.812
MDCK 0.0000866
BBB 0.488
PPB 0.116987
VDSS 0.677
FU 0.956911
CYP1A2-inh 0.011
CYP1A2-sub 0.075
CYP2c19-inh 0.039
CYP2c19-sub 0.063
CYP2c9-inh 0.006
CYP2c9-sub 0.424
CYP2d6-inh 0.007
CYP2d6-sub 0.284
CYP3a4-inh 0.004
CYP3a4-sub 0.02
CL 5.356
T12 0.646
hERG 0.013
Ames 0.021
ROA 0.042
SkinSen 0.305
Carcinogencity 0.193
EI 0.348
Respiratory 0.268
NR-Aromatase 0.003
Antiviral No
Prediction 0.98087