6-[(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C23H22NO4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.

MolName	6-[(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C23H22NO4ClS2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c2cccc(OCc(cc3)ccc3Cl)c2)=O)C1=S)=O
InChI	InChI=1S/C23H22ClNO4S2/c24-18-10-8-16(9-11-18)15-29-19-6-4-5-17(13-19)14-20-22(28)25(23(30)31-20)12-3-1-2-7-21(26)27/h4-6,8-11,13-14H,1-3,7,12,15H2,(H,26,27)
InChIK	MOMDPFNTIUDLCP-UHFFFAOYSA-N
TotalMolweight	476.016
Molweight	476.016
MonoisotopicMass	475.067876
CLogP	4.2988
CLogS	-6.07
H Acceptors	5
H Donors	1
TotalSurfaceArea	354.56
Relative PSA	0.27702
PolarSurfaceArea	124.23
Druglikeness	-5.4863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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