3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Formula:C25H21N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid is not a drug-like molecule.

MolName	3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
MolecularFormula	C25H21N3O5S2
Smiles	OC(c1cccc(N(C(/C(/S2)=C/c3cn(CC(N4CCOCC4)=O)c4c3cccc4)=O)C2=S)c1)=O
InChI	InChI=1S/C25H21N3O5S2/c29-22(26-8-10-33-11-9-26)15-27-14-17(19-6-1-2-7-20(19)27)13-21-23(30)28(25(34)35-21)18-5-3-4-16(12-18)24(31)32/h1-7,12-14H,8-11,15H2,(H,31,32)
InChIK	KQWZFVWUJFYJQY-UHFFFAOYSA-N
TotalMolweight	507.59
Molweight	507.59
MonoisotopicMass	507.092262
CLogP	1.7185
CLogS	-4.361
H Acceptors	8
H Donors	1
TotalSurfaceArea	363.73
Relative PSA	0.33453
PolarSurfaceArea	149.47
Druglikeness	4.1345
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid | 2 - 3-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

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