(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione

Formula:C25H22N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione
MolecularFormula	C25H22N3O3Cl
Smiles	O/C(/c(cc1)ccc1Cl)=C(\C(/C=C/c1ccccc1)N(CCCn1cncc1)C1=O)/C1=O
InChI	InChI=1S/C25H22ClN3O3/c26-20-10-8-19(9-11-20)23(30)22-21(12-7-18-5-2-1-3-6-18)29(25(32)24(22)31)15-4-14-28-16-13-27-17-28/h1-3,5-13,16-17,21,30H,4,14-15H2/t21-/m0/s1
InChIK	SWSKBAQKHQEWFB-NRFANRHFSA-N
TotalMolweight	447.921
Molweight	447.921
MonoisotopicMass	447.134969
CLogP	3.2187
CLogS	-3.393
H Acceptors	6
H Donors	1
TotalSurfaceArea	338.01
Relative PSA	0.1792
PolarSurfaceArea	75.43
Druglikeness	2.2098
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	racemate

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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-[(E)-2-phenylethenyl]pyrrolidine-2,3-dione

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