(4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

Formula:C24H23N2O6Cl Mutagenic:none Tumorigenic:high Reproductive Effective:high (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
MolecularFormula	C24H23N2O6Cl
Smiles	O/C(/c(cc1)cc2c1OCO2)=C(\C(c1cccc(Cl)c1)N(CCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C24H23ClN2O6/c25-17-3-1-2-15(12-17)21-20(22(28)16-4-5-18-19(13-16)33-14-32-18)23(29)24(30)27(21)7-6-26-8-10-31-11-9-26/h1-5,12-13,21,28H,6-11,14H2/t21-/m1/s1
InChIK	MGCGVTJTRLAXKT-OAQYLSRUSA-N
TotalMolweight	470.908
Molweight	470.908
MonoisotopicMass	470.124465
CLogP	2.3253
CLogS	-3.085
H Acceptors	8
H Donors	1
TotalSurfaceArea	332.13
Relative PSA	0.22967
PolarSurfaceArea	88.54
Druglikeness	0.77812
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	racemate

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1 - (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

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