(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

Formula:C22H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
MolecularFormula	C22H20N4O4
Smiles	O/C(/c1ccncc1)=C(\C(c1cc(O)ccc1)N(CCCn1cncc1)C1=O)/C1=O
InChI	InChI=1S/C22H20N4O4/c27-17-4-1-3-16(13-17)19-18(20(28)15-5-7-23-8-6-15)21(29)22(30)26(19)11-2-10-25-12-9-24-14-25/h1,3-9,12-14,19,27-28H,2,10-11H2/t19-/m0/s1
InChIK	WMMSQUQQNYROPL-IBGZPJMESA-N
TotalMolweight	404.425
Molweight	404.425
MonoisotopicMass	404.148456
CLogP	0.6846
CLogS	-0.742
H Acceptors	8
H Donors	2
TotalSurfaceArea	301.2
Relative PSA	0.28101
PolarSurfaceArea	108.55
Druglikeness	2.1446
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon	racemate

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