(3E)-6-chloro-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one
Formula:C24H22N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-6-chloro-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-6-chloro-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C24H22N3O2Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\c(ccc(Cl)c2)c2N2)/C2=O)c1)N1CCCCC1 |
| InChI | InChI=1S/C24H22ClN3O2/c25-17-8-9-19-20(24(30)26-21(19)13-17)12-16-14-28(22-7-3-2-6-18(16)22)15-23(29)27-10-4-1-5-11-27/h2-3,6-9,12-14H,1,4-5,10-11,15H2,(H,26,30) |
| InChIK | LRCMVBMKVXJPTQ-UHFFFAOYSA-N |
| TotalMolweight | 419.911 |
| Molweight | 419.911 |
| MonoisotopicMass | 419.140054 |
| CLogP | 3.3768 |
| CLogS | -4.359 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.77 |
| Relative PSA | 0.15482 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| 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 |
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1 - (3E)-6-chloro-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one | 2 - (3E)-6-chloro-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one
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