(5E)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H25N2O2ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (5E)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H25N2O2ClS2
Smiles	O=C(CCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)N1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C25H25ClN2O2S2/c26-21-9-5-4-8-20(21)17-22-24(30)28(25(31)32-22)15-12-23(29)27-13-10-19(11-14-27)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIK	SWMGPAKEQUBOIH-UHFFFAOYSA-N
TotalMolweight	485.071
Molweight	485.071
MonoisotopicMass	484.104595
CLogP	4.6519
CLogS	-5.8
H Acceptors	4
TotalSurfaceArea	361.27
Relative PSA	0.21776
PolarSurfaceArea	98.01
Druglikeness	5.1066
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	2
StereoCon

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