(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione

Formula:C22H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
MolecularFormula	C22H20N4O3
Smiles	O/C(/c1ccccc1)=C(\[C@@H](c1ccncc1)N(CCCn1cncc1)C1=O)/C1=O
InChI	InChI=1S/C22H20N4O3/c27-20(17-5-2-1-3-6-17)18-19(16-7-9-23-10-8-16)26(22(29)21(18)28)13-4-12-25-14-11-24-15-25/h1-3,5-11,14-15,19,27H,4,12-13H2/t19-/m0/s1
InChIK	UDFVIAOHEZILBD-IBGZPJMESA-N
TotalMolweight	388.426
Molweight	388.426
MonoisotopicMass	388.153541
CLogP	1.0303
CLogS	-1.038
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.85
Relative PSA	0.24263
PolarSurfaceArea	88.32
Druglikeness	2.1446
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
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	3
BasicNitrogens	1
StereoCon	this enantiomer

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