3-[6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid

Formula:C23H22N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid is a drug-like molecule.

MolName	3-[6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid
MolecularFormula	C23H22N2O4S2
Smiles	OC(c1cccc(NC(CCCCCN(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)c1)=O
InChI	InChI=1S/C23H22N2O4S2/c26-20(24-18-11-7-10-17(15-18)22(28)29)12-5-2-6-13-25-21(27)19(31-23(25)30)14-16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,24,26)(H,28,29)
InChIK	NSPZWGPIOFEQFR-UHFFFAOYSA-N
TotalMolweight	454.57
Molweight	454.57
MonoisotopicMass	454.102098
CLogP	3.4922
CLogS	-5.505
H Acceptors	6
H Donors	2
TotalSurfaceArea	344.59
Relative PSA	0.32711
PolarSurfaceArea	144.1
Druglikeness	-3.4328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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