11-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C24H27N2O6BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.

MolName	11-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C24H27N2O6BrS2
Smiles	OC(CCCCCCCCCCN(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2CC(O)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C24H27BrN2O6S2/c25-15-10-11-17-16(13-15)20(22(32)27(17)14-19(30)31)21-23(33)26(24(34)35-21)12-8-6-4-2-1-3-5-7-9-18(28)29/h10-11,13H,1-9,12,14H2,(H,28,29)(H,30,31)
InChIK	BECVNNGBGVTSRA-UHFFFAOYSA-N
TotalMolweight	583.522
Molweight	583.522
MonoisotopicMass	582.049389
CLogP	3.2293
CLogS	-5.545
H Acceptors	8
H Donors	2
TotalSurfaceArea	393.67
Relative PSA	0.33264
PolarSurfaceArea	172.61
Druglikeness	-13.645
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	13
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	15
Amides	2
AcidicOxygens	2
StereoCon

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1 - 11-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid | 2 - 11-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

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