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

Formula:C32H32N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
MolecularFormulaC32H32N2O7
SmilesO/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cc(Oc2ccccc2)ccc1)N(CCCN1CCOCC1)C1=O)/C1=O
InChIInChI=1S/C32H32N2O7/c35-30(23-10-11-26-27(21-23)40-19-18-39-26)28-29(22-6-4-9-25(20-22)41-24-7-2-1-3-8-24)34(32(37)31(28)36)13-5-12-33-14-16-38-17-15-33/h1-4,6-11,20-21,29,35H,5,12-19H2/t29-/m0/s1
InChIKGQSXEUGCOJMHKM-LJAQVGFWSA-N
TotalMolweight556.613
Molweight556.613
MonoisotopicMass556.220953
CLogP3.4367
CLogS-4.387
H Acceptors9
H Donors1
TotalSurfaceArea413.99
Relative PSA0.20841
PolarSurfaceArea97.77
Druglikeness-6.0672
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41463
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms16
Symmetricatoms4
Amides1
Amines1
AlkylAmines1
BasicNitrogens1
StereoConracemate

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