(5Z)-5-benzylidene-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
Formula:C15H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione |
| MolecularFormula | C15H17N3O2 |
| Smiles | O=C(/C(/N1)=C/c2ccccc2)N(CN2CCCC2)C1=O |
| InChI | InChI=1S/C15H17N3O2/c19-14-13(10-12-6-2-1-3-7-12)16-15(20)18(14)11-17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9,11H2,(H,16,20) |
| InChIK | YWFZGMGVLRPMFC-UHFFFAOYSA-N |
| TotalMolweight | 271.319 |
| Molweight | 271.319 |
| MonoisotopicMass | 271.132077 |
| CLogP | 1.6314 |
| CLogS | -3.012 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.33 |
| Relative PSA | 0.21531 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 5.0642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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