(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H25N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H25N3O4S2
Smiles	O=C(CCCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C25H25N3O4S2/c29-23(27-13-11-26(12-14-27)19-5-2-1-3-6-19)7-4-10-28-24(30)22(34-25(28)33)16-18-8-9-20-21(15-18)32-17-31-20/h1-3,5-6,8-9,15-16H,4,7,10-14,17H2
InChIK	IUFBKYGANRPARU-UHFFFAOYSA-N
TotalMolweight	495.623
Molweight	495.623
MonoisotopicMass	495.128647
CLogP	3.3411
CLogS	-5.208
H Acceptors	7
TotalSurfaceArea	363.91
Relative PSA	0.28089
PolarSurfaceArea	119.71
Druglikeness	6.5966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,3-thiazolidin-4-one

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