6-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C24H21N2O4BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C24H21N2O4BrS2
Smiles	OC(CCCCCN(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2Cc3ccccc3)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C24H21BrN2O4S2/c25-16-10-11-18-17(13-16)20(22(30)27(18)14-15-7-3-1-4-8-15)21-23(31)26(24(32)33-21)12-6-2-5-9-19(28)29/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,28,29)
InChIK	SLYFXBSGBQEELF-UHFFFAOYSA-N
TotalMolweight	545.477
Molweight	545.477
MonoisotopicMass	544.012609
CLogP	3.2454
CLogS	-5.743
H Acceptors	6
H Donors	1
TotalSurfaceArea	360.53
Relative PSA	0.29071
PolarSurfaceArea	135.31
Druglikeness	-6.8056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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