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

Formula:C23H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
MolecularFormula	C23H25N3O4
Smiles	O/C(/c1ccccc1)=C(\[C@H](c1ncccc1)N(CCCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C23H25N3O4/c27-21(17-7-2-1-3-8-17)19-20(18-9-4-5-10-24-18)26(23(29)22(19)28)12-6-11-25-13-15-30-16-14-25/h1-5,7-10,20,27H,6,11-16H2/t20-/m1/s1
InChIK	PWULDWCXTVJZBW-HXUWFJFHSA-N
TotalMolweight	407.469
Molweight	407.469
MonoisotopicMass	407.184507
CLogP	1.1154
CLogS	-1.137
H Acceptors	7
H Donors	1
TotalSurfaceArea	308.97
Relative PSA	0.21766
PolarSurfaceArea	82.97
Druglikeness	0.81279
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	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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