(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

Formula:C26H28N4O4S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C26H28N4O4S
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)ccc2N2CCOCC2)=O)C1=O)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C26H28N4O4S/c31-24(29-12-10-27(11-13-29)21-4-2-1-3-5-21)19-30-25(32)23(35-26(30)33)18-20-6-8-22(9-7-20)28-14-16-34-17-15-28/h1-9,18H,10-17,19H2
InChIK	AQTAVZBCCFNJLS-UHFFFAOYSA-N
TotalMolweight	492.598
Molweight	492.598
MonoisotopicMass	492.183126
CLogP	2.3351
CLogS	-3.709
H Acceptors	8
TotalSurfaceArea	363.01
Relative PSA	0.22261
PolarSurfaceArea	98.7
Druglikeness	6.9325
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	8
Amides	2
Amines	2
Aromatic Amines	2
StereoCon

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1 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

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