(4E,5S)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

Formula:C26H27N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E,5S)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5S)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
MolecularFormula	C26H27N2O6Cl
Smiles	O/C(/c(cc1)cc2c1OCCO2)=C(\[C@H](c(cc1)ccc1Cl)N(CCCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C26H27ClN2O6/c27-19-5-2-17(3-6-19)23-22(24(30)18-4-7-20-21(16-18)35-15-14-34-20)25(31)26(32)29(23)9-1-8-28-10-12-33-13-11-28/h2-7,16,23,30H,1,8-15H2/t23-/m0/s1
InChIK	GQOHSBSMKPBDDH-QHCPKHFHSA-N
TotalMolweight	498.961
Molweight	498.961
MonoisotopicMass	498.155765
CLogP	2.6471
CLogS	-2.826
H Acceptors	8
H Donors	1
TotalSurfaceArea	359.65
Relative PSA	0.2121
PolarSurfaceArea	88.54
Druglikeness	-6.0253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (4E,5S)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E,5S)-5-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

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