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C25H23N5O6 | Cheminformatics
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(5E)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

Molecular Formula : C25H23N5O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5E)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is not a drug-like molecule.

MolName : (5E)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

MolecularFormula : C25H23N5O6

Smiles : [O-][N+](c1ccc(CN(C(/C(/N2)=C\c3cn(CC(N4CCOCC4)=O)c4c3cccc4)=O)C2=O)cc1)=O

InChI : InChI=1S/C25H23N5O6/c31-23(27-9-11-36-12-10-27)16-28-15-18(20-3-1-2-4-22(20)28)13-21-24(32)29(25(33)26-21)14-17-5-7-19(8-6-17)30(34)35/h1-8,13,15H,9-12,14,16H2,(H,26,33)

InChIK : YSGVLGWVNZQXNL-UHFFFAOYSA-N

TotalMolweight : 489.487

Molweight : 489.487

MonoisotopicMass : 489.164835

CLogP : 0.9588

CLogS : -3.522

H Acceptors : 11

H Donors : 1

TotalSurfaceArea : 356.07

Relative PSA : 0.2948

PolarSurfaceArea : 129.7

Druglikeness : -0.04476

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 3

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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1 - (5E)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
2 - (5E)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
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