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

Formula:C23H20N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
MolecularFormula	C23H20N3O3Cl
Smiles	O/C(/c(cc1)ccc1Cl)=C(\[C@@H](c1ccccc1)N(CCCn1cncc1)C1=O)/C1=O
InChI	InChI=1S/C23H20ClN3O3/c24-18-9-7-17(8-10-18)21(28)19-20(16-5-2-1-3-6-16)27(23(30)22(19)29)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20,28H,4,12-13H2/t20-/m1/s1
InChIK	RRPFNDADZWPQMQ-HXUWFJFHSA-N
TotalMolweight	421.883
Molweight	421.883
MonoisotopicMass	421.119319
CLogP	2.6372
CLogS	-2.569
H Acceptors	6
H Donors	1
TotalSurfaceArea	311.51
Relative PSA	0.19444
PolarSurfaceArea	75.43
Druglikeness	2.1782
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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