(4E)-5-(3,4-dichlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

Formula:C31H29N2O5Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(3,4-dichlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3,4-dichlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
MolecularFormula	C31H29N2O5Cl2F
Smiles	O/C(/c(cc1)ccc1OCc(cc1)ccc1F)=C(\C(c(cc1)cc(Cl)c1Cl)N(CCCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C31H29Cl2FN2O5/c32-25-11-6-22(18-26(25)33)28-27(30(38)31(39)36(28)13-1-12-35-14-16-40-17-15-35)29(37)21-4-9-24(10-5-21)41-19-20-2-7-23(34)8-3-20/h2-11,18,28,37H,1,12-17,19H2/t28-/m1/s1
InChIK	IIEQRDKTEIWEGL-MUUNZHRXSA-N
TotalMolweight	599.484
Molweight	599.484
MonoisotopicMass	598.143755
CLogP	4.7232
CLogS	-5.035
H Acceptors	7
H Donors	1
TotalSurfaceArea	430.92
Relative PSA	0.15381
PolarSurfaceArea	79.31
Druglikeness	-0.48527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53659
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	13
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	racemate

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1 - (4E)-5-(3,4-dichlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3,4-dichlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione

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