(5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

Formula:C35H30N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C35H30N4O3S
Smiles	O=C(CN(C(/C(/S1)=C\c2cn(Cc3cc4ccccc4cc3)c3c2cccc3)=O)C1=O)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C35H30N4O3S/c40-33(37-18-16-36(17-19-37)29-10-2-1-3-11-29)24-39-34(41)32(43-35(39)42)21-28-23-38(31-13-7-6-12-30(28)31)22-25-14-15-26-8-4-5-9-27(26)20-25/h1-15,20-21,23H,16-19,22,24H2
InChIK	KXTHUQQQBBHNTA-UHFFFAOYSA-N
TotalMolweight	586.714
Molweight	586.714
MonoisotopicMass	586.203861
CLogP	5.3902
CLogS	-6.19
H Acceptors	7
TotalSurfaceArea	433.09
Relative PSA	0.17117
PolarSurfaceArea	91.16
Druglikeness	8.1351
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55814
Fragments	1
Non HAtoms	43
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	7
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

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