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

Formula:C31H30N3O7F Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
MolecularFormula	C31H30N3O7F
Smiles	[O-][N+](c1ccc(C(/C(/C2=O)=C(/c(cc3)ccc3OCc(cc3)ccc3F)\O)N(CCCN3CCOCC3)C2=O)cc1)=O
InChI	InChI=1S/C31H30FN3O7/c32-24-8-2-21(3-9-24)20-42-26-12-6-23(7-13-26)29(36)27-28(22-4-10-25(11-5-22)35(39)40)34(31(38)30(27)37)15-1-14-33-16-18-41-19-17-33/h2-13,28,36H,1,14-20H2/t28-/m1/s1
InChIK	MQMPLKFTONXRPW-MUUNZHRXSA-N
TotalMolweight	575.591
Molweight	575.591
MonoisotopicMass	575.20678
CLogP	1.6631
CLogS	-4.023
H Acceptors	10
H Donors	1
TotalSurfaceArea	423.75
Relative PSA	0.2282
PolarSurfaceArea	125.13
Druglikeness	-5.5541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52381
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	14
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

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

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