| MolName | (3E)-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C23H21N3O3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\c(cccc2)c2N2)/C2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C23H21N3O3/c27-22(25-9-11-29-12-10-25)15-26-14-16(17-5-2-4-8-21(17)26)13-19-18-6-1-3-7-20(18)24-23(19)28/h1-8,13-14H,9-12,15H2,(H,24,28) |
| InChIK | WGIRIWJDSJJSDB-UHFFFAOYSA-N |
| TotalMolweight | 387.438 |
| Molweight | 387.438 |
| MonoisotopicMass | 387.158292 |
| CLogP | 1.6068 |
| CLogS | -2.734 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.59 |
| Relative PSA | 0.19946 |
| PolarSurfaceArea | 63.57 |
| Druglikeness | 4.772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one