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