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

Formula:C30H32N3O5BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-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-[2-(3-bromoanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C30H32N3O5BrS2
Smiles	OC(CCCCCCCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc3cccc(Br)c3)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C30H32BrN3O5S2/c31-20-12-11-13-21(18-20)32-24(35)19-34-23-15-9-8-14-22(23)26(28(34)38)27-29(39)33(30(40)41-27)17-10-6-4-2-1-3-5-7-16-25(36)37/h8-9,11-15,18H,1-7,10,16-17,19H2,(H,32,35)(H,36,37)
InChIK	BSVAGEXHPICVKY-UHFFFAOYSA-N
TotalMolweight	658.636
Molweight	658.636
MonoisotopicMass	657.096673
CLogP	4.8917
CLogS	-7.044
H Acceptors	8
H Donors	2
TotalSurfaceArea	458.54
Relative PSA	0.282
PolarSurfaceArea	164.41
Druglikeness	-7.2207
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60976
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	14
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Amides	3
AcidicOxygens	1
StereoCon

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

Request More Details | 11-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

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