(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one

Formula:C22H20N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
MolecularFormula	C22H20N2O3S
Smiles	O=C(/C(/S1)=C\c(cc2)cc3c2OCO3)N(C2CCCC2)/C1=N/c1ccccc1
InChI	InChI=1S/C22H20N2O3S/c25-21-20(13-15-10-11-18-19(12-15)27-14-26-18)28-22(23-16-6-2-1-3-7-16)24(21)17-8-4-5-9-17/h1-3,6-7,10-13,17H,4-5,8-9,14H2
InChIK	DXORSPQUYJVVPN-UHFFFAOYSA-N
TotalMolweight	392.478
Molweight	392.478
MonoisotopicMass	392.119463
CLogP	4.5079
CLogS	-6.02
H Acceptors	5
TotalSurfaceArea	287.04
Relative PSA	0.2285
PolarSurfaceArea	76.43
Druglikeness	1.0593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
StereoCon

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