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

Formula:C26H25N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[1-[2-(benzylamino)-2-oxoethyl]-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-[2-(benzylamino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C26H25N3O5S2
Smiles	OC(CCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(NCc3ccccc3)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C26H25N3O5S2/c30-20(27-15-17-9-3-1-4-10-17)16-29-19-12-7-6-11-18(19)22(24(29)33)23-25(34)28(26(35)36-23)14-8-2-5-13-21(31)32/h1,3-4,6-7,9-12H,2,5,8,13-16H2,(H,27,30)(H,31,32)
InChIK	XVEBQAOFKALSQI-UHFFFAOYSA-N
TotalMolweight	523.633
Molweight	523.633
MonoisotopicMass	523.123562
CLogP	1.6039
CLogS	-4.676
H Acceptors	8
H Donors	2
TotalSurfaceArea	384.87
Relative PSA	0.33598
PolarSurfaceArea	164.41
Druglikeness	-4.0386
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amides	3
AcidicOxygens	1
StereoCon

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

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