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

Formula:C21H20N2O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid is a drug-like molecule.

MolName	4-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid
MolecularFormula	C21H20N2O4S3
Smiles	OC(c(cc1)ccc1NC(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C21H20N2O4S3/c24-18(22-15-9-7-14(8-10-15)20(26)27)6-2-1-3-11-23-19(25)17(30-21(23)28)13-16-5-4-12-29-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,22,24)(H,26,27)
InChIK	UCQNUKRINIYHNW-UHFFFAOYSA-N
TotalMolweight	460.598
Molweight	460.598
MonoisotopicMass	460.058518
CLogP	3.3588
CLogS	-5.515
H Acceptors	6
H Donors	2
TotalSurfaceArea	340.53
Relative PSA	0.3908
PolarSurfaceArea	172.34
Druglikeness	-2.9389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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