(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H22N3O2ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H22N3O2ClS2
Smiles	O=C(/C(/S1)=C\c2ccc(-c3cccc(Cl)c3)o2)N(CN(CC2)CCN2c2ccccc2)C1=S
InChI	InChI=1S/C25H22ClN3O2S2/c26-19-6-4-5-18(15-19)22-10-9-21(31-22)16-23-24(30)29(25(32)33-23)17-27-11-13-28(14-12-27)20-7-2-1-3-8-20/h1-10,15-16H,11-14,17H2
InChIK	AEHRQBJPJIOUHY-UHFFFAOYSA-N
TotalMolweight	496.054
Molweight	496.054
MonoisotopicMass	495.084194
CLogP	4.2348
CLogS	-6.7
H Acceptors	5
TotalSurfaceArea	363.25
Relative PSA	0.22929
PolarSurfaceArea	97.32
Druglikeness	7.1146
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

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