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

Formula:C29H31N2O4BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-(1-benzyl-5-bromo-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-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C29H31N2O4BrS2
Smiles	OC(CCCCCCCCCCN(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2Cc3ccccc3)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C29H31BrN2O4S2/c30-21-15-16-23-22(18-21)25(27(35)32(23)19-20-12-8-7-9-13-20)26-28(36)31(29(37)38-26)17-11-6-4-2-1-3-5-10-14-24(33)34/h7-9,12-13,15-16,18H,1-6,10-11,14,17,19H2,(H,33,34)
InChIK	MEICYZNOGTXKCB-UHFFFAOYSA-N
TotalMolweight	615.611
Molweight	615.611
MonoisotopicMass	614.090859
CLogP	5.5174
CLogS	-7.093
H Acceptors	6
H Donors	1
TotalSurfaceArea	429.33
Relative PSA	0.24412
PolarSurfaceArea	135.31
Druglikeness	-8.0456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60526
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	13
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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