(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

Formula:C27H23N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]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-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C27H23N5O6S
Smiles	[O-][N+](c(cc1)cnc1Oc1ccc(/C=C(\C(N2CC(N(CC3)CCN3c3ccccc3)=O)=O)/SC2=O)cc1)=O
InChI	InChI=1S/C27H23N5O6S/c33-25(30-14-12-29(13-15-30)20-4-2-1-3-5-20)18-31-26(34)23(39-27(31)35)16-19-6-9-22(10-7-19)38-24-11-8-21(17-28-24)32(36)37/h1-11,16-17H,12-15,18H2
InChIK	VPELDWBJKDEKTA-UHFFFAOYSA-N
TotalMolweight	545.575
Molweight	545.575
MonoisotopicMass	545.136905
CLogP	2.4906
CLogS	-6.093
H Acceptors	11
TotalSurfaceArea	393.36
Relative PSA	0.30163
PolarSurfaceArea	154.17
Druglikeness	2.8502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64103
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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