Chemoinformaics analysis of THIAZOLIDINE-4-CARBOXYLIC ACID


Molecular Weight 133.172 nRot 1
Heavy Atom Molecular Weight 126.116 nRig 6
Exact Molecular Weight 133.02 nRing 1
Solubility: LogS -1.758 nHRing 1
Solubility: LogP -1.974 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 15 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 4 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 3 APOL 16.9516
nHD 2 BPOL 10.9204
QED 0.517
Synth 3.533
Natural Product Likeliness 0.52
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.002
HIA 0.01
CACO-2 -5.893
MDCK 0.00000353
BBB 0.522
PPB 0.0786613
VDSS 0.592
FU 0.908594
CYP1A2-inh 0.013
CYP1A2-sub 0.089
CYP2c19-inh 0.034
CYP2c19-sub 0.061
CYP2c9-inh 0.035
CYP2c9-sub 0.74
CYP2d6-inh 0.007
CYP2d6-sub 0.352
CYP3a4-inh 0.011
CYP3a4-sub 0.027
CL 4.838
T12 0.81
hERG 0.013
Ames 0.008
ROA 0.045
SkinSen 0.384
Carcinogencity 0.471
EI 0.718
Respiratory 0.387
NR-Aromatase 0.004
Antiviral No
Prediction 0.946707