3-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C15H14N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C15H14N2O5S2
Smiles	NC(COc1ccc(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)cc1)=O
InChI	InChI=1S/C15H14N2O5S2/c16-12(18)8-22-10-3-1-9(2-4-10)7-11-14(21)17(15(23)24-11)6-5-13(19)20/h1-4,7H,5-6,8H2,(H2,16,18)(H,19,20)
InChIK	YZISTWWINKHFKO-UHFFFAOYSA-N
TotalMolweight	366.417
Molweight	366.417
MonoisotopicMass	366.034413
CLogP	-0.3563
CLogS	-3.052
H Acceptors	7
H Donors	2
TotalSurfaceArea	264.37
Relative PSA	0.47861
PolarSurfaceArea	167.32
Druglikeness	4.6258
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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