(3E)-3-[[2-(4-benzylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one
Formula:C26H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[[2-(4-benzylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[[2-(4-benzylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C26H25N3O |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cccc1)c1N1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C26H25N3O/c30-26-23(22-11-5-6-12-24(22)27-26)18-21-10-4-7-13-25(21)29-16-14-28(15-17-29)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,27,30) |
| InChIK | NOOUZOXMWDBESC-UHFFFAOYSA-N |
| TotalMolweight | 395.505 |
| Molweight | 395.505 |
| MonoisotopicMass | 395.199762 |
| CLogP | 3.4622 |
| CLogS | -4.297 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.1 |
| Relative PSA | 0.10223 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 7.5499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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