(4E)-1-(3,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazolidine-3,5-dione

Formula:C20H17N3O3Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:low (4E)-1-(3,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-1-(3,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C20H17N3O3Cl2
Smiles	O=C(/C(/C1=O)=C\c(cc2)ccc2N2CCOCC2)NN1c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C20H17Cl2N3O3/c21-17-6-5-15(12-18(17)22)25-20(27)16(19(26)23-25)11-13-1-3-14(4-2-13)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2,(H,23,26)
InChIK	CNSYNKHMRYRYBD-UHFFFAOYSA-N
TotalMolweight	418.279
Molweight	418.279
MonoisotopicMass	417.064696
CLogP	2.2246
CLogS	-4.465
H Acceptors	6
H Donors	1
TotalSurfaceArea	294.17
Relative PSA	0.18574
PolarSurfaceArea	61.88
Druglikeness	4.675
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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