(4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Formula:C38H38N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormula	C38H38N2O6
Smiles	O/C(/c(cc1)ccc1OCc1ccccc1)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCCN1CCOCC1)C1=O)/C1=O
InChI	InChI=1S/C38H38N2O6/c41-36(31-14-18-33(19-15-31)46-27-29-10-5-2-6-11-29)34-35(30-12-16-32(17-13-30)45-26-28-8-3-1-4-9-28)40(38(43)37(34)42)21-7-20-39-22-24-44-25-23-39/h1-6,8-19,35,41H,7,20-27H2/t35-/m0/s1
InChIK	HVCGKEGASGCAOI-DHUJRADRSA-N
TotalMolweight	618.728
Molweight	618.728
MonoisotopicMass	618.272988
CLogP	4.7585
CLogS	-4.59
H Acceptors	8
H Donors	1
TotalSurfaceArea	477.25
Relative PSA	0.15983
PolarSurfaceArea	88.54
Druglikeness	0.81279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	46
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	12
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	15
Symmetricatoms	10
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	racemate

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