(5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C23H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C23H17N3O2 |
| Smiles | O=C(/C(/N1)=C\c2cn(Cc3cc4ccccc4cc3)c3c2cccc3)NC1=O |
| InChI | InChI=1S/C23H17N3O2/c27-22-20(24-23(28)25-22)12-18-14-26(21-8-4-3-7-19(18)21)13-15-9-10-16-5-1-2-6-17(16)11-15/h1-12,14H,13H2,(H2,24,25,27,28) |
| InChIK | VYDFGTMLMVHWMD-UHFFFAOYSA-N |
| TotalMolweight | 367.407 |
| Molweight | 367.407 |
| MonoisotopicMass | 367.132077 |
| CLogP | 3.5924 |
| CLogS | -5.32 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.81 |
| Relative PSA | 0.2033 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 4.8396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
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