2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide

Formula:C14H14N2O3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide is a drug-like molecule.

MolName	2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide
MolecularFormula	C14H14N2O3S2
Smiles	OCCNC(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C14H14N2O3S2/c17-7-6-15-12(18)9-16-13(19)11(21-14(16)20)8-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2,(H,15,18)
InChIK	NDFUYWKQCITOCT-UHFFFAOYSA-N
TotalMolweight	322.408
Molweight	322.408
MonoisotopicMass	322.044583
CLogP	-0.0396
CLogS	-2.698
H Acceptors	5
H Donors	2
TotalSurfaceArea	239.56
Relative PSA	0.4161
PolarSurfaceArea	127.03
Druglikeness	4.9805
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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