(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

Formula:C26H24N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
MolecularFormula	C26H24N3O4Br
Smiles	C=CCOc(cc1)ccc1/C(/O)=C(/C(c1cccc(Br)c1)N(CCCn1cncc1)C1=O)\C1=O
InChI	InChI=1S/C26H24BrN3O4/c1-2-15-34-21-9-7-18(8-10-21)24(31)22-23(19-5-3-6-20(27)16-19)30(26(33)25(22)32)13-4-12-29-14-11-28-17-29/h2-3,5-11,14,16-17,23,31H,1,4,12-13,15H2/t23-/m1/s1
InChIK	SWTJKILWDBCAST-HSZRJFAPSA-N
TotalMolweight	522.398
Molweight	522.398
MonoisotopicMass	521.095018
CLogP	3.3616
CLogS	-3.194
H Acceptors	7
H Donors	1
TotalSurfaceArea	363.02
Relative PSA	0.1944
PolarSurfaceArea	84.66
Druglikeness	-5.2092
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	racemate

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1 - (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

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