3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

Formula:C21H25N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
MolecularFormula	C21H25N3O5S2
Smiles	O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)NCCCN1CCOCC1
InChI	InChI=1S/C21H25N3O5S2/c25-19(22-5-1-6-23-8-10-27-11-9-23)4-7-24-20(26)18(31-21(24)30)13-15-2-3-16-17(12-15)29-14-28-16/h2-3,12-13H,1,4-11,14H2,(H,22,25)
InChIK	YKLYMGBXQJPSJA-UHFFFAOYSA-N
TotalMolweight	463.578
Molweight	463.578
MonoisotopicMass	463.123562
CLogP	1.1698
CLogS	-3.646
H Acceptors	8
H Donors	1
TotalSurfaceArea	342.83
Relative PSA	0.35041
PolarSurfaceArea	137.73
Druglikeness	5.0372
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	16
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide | 2 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

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