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

Formula:C14H12N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C14H12N2O5S2
Smiles	NC(COc1ccc(/C=C(/C(N2CC(O)=O)=O)\SC2=S)cc1)=O
InChI	InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)
InChIK	LNUUVOYTGLGONO-UHFFFAOYSA-N
TotalMolweight	352.39
Molweight	352.39
MonoisotopicMass	352.018763
CLogP	-0.8107
CLogS	-2.782
H Acceptors	7
H Donors	2
TotalSurfaceArea	250.61
Relative PSA	0.50489
PolarSurfaceArea	167.32
Druglikeness	-1.2462
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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