4-[(3S)-2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoate

Formula:C23H15N2O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-[(3S)-2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoate is a drug-like molecule.

MolName	4-[(3S)-2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoate
MolecularFormula	C23H15N2O5S2
Smiles	[O-]C(c(cc1)ccc1N(C(C[C@@H]1N(C(/C(/S2)=C/C=C/c3ccccc3)=O)C2=S)=O)C1=O)=O
InChI	InChI=1S/C23H16N2O5S2/c26-19-13-17(20(27)24(19)16-11-9-15(10-12-16)22(29)30)25-21(28)18(32-23(25)31)8-4-7-14-5-2-1-3-6-14/h1-12,17H,13H2,(H,29,30)/p-1/t17-/m0/s1
InChIK	WEEACUNPOHWAFM-KRWDZBQOSA-M
TotalMolweight	463.513
Molweight	463.513
MonoisotopicMass	463.042238
CLogP	-0.0153
CLogS	-5.189
H Acceptors	7
TotalSurfaceArea	332.82
Relative PSA	0.35764
PolarSurfaceArea	155.21
Druglikeness	5.0172
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon	this enantiomer

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1 - 4-[(3S)-2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoate | 2 - 4-[(3S)-2,5-dioxo-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidin-1-yl]benzoate

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