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

Formula:C26H26N2O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
MolecularFormula	C26H26N2O6Cl2
Smiles	O/C(/c(cc1)cc2c1OCCO2)=C(\C(c(cc1)cc(Cl)c1Cl)N(CCCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C26H26Cl2N2O6/c27-18-4-2-16(14-19(18)28)23-22(24(31)17-3-5-20-21(15-17)36-13-12-35-20)25(32)26(33)30(23)7-1-6-29-8-10-34-11-9-29/h2-5,14-15,23,31H,1,6-13H2/t23-/m1/s1
InChIK	CROSXTPRTNGGPB-HSZRJFAPSA-N
TotalMolweight	533.406
Molweight	533.406
MonoisotopicMass	532.116792
CLogP	3.2531
CLogS	-3.562
H Acceptors	8
H Donors	1
TotalSurfaceArea	375.07
Relative PSA	0.20338
PolarSurfaceArea	88.54
Druglikeness	-6.0253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	racemate

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

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