(5Z)-3-benzyl-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C25H24N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C25H24N4O4 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2Cc3ccccc3)=O)\NC2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C25H24N4O4/c30-23(27-10-12-33-13-11-27)17-28-16-19(20-8-4-5-9-22(20)28)14-21-24(31)29(25(32)26-21)15-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,26,32) |
| InChIK | DOKXIDKRDMUWKK-UHFFFAOYSA-N |
| TotalMolweight | 444.49 |
| Molweight | 444.49 |
| MonoisotopicMass | 444.179756 |
| CLogP | 1.8804 |
| CLogS | -3.062 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 332.4 |
| Relative PSA | 0.22428 |
| PolarSurfaceArea | 83.88 |
| Druglikeness | 4.9539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
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