6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione
Formula:C22H16N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione is a drug-like molecule.
| MolName | 6-hydroxy-2-[2-(1H-indol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C22H16N2O3 |
| Smiles | Oc(c1cccc(C(N2CCc3c[nH]c4c3cccc4)=O)c11)ccc1C2=O |
| InChI | InChI=1S/C22H16N2O3/c25-19-9-8-17-20-15(19)5-3-6-16(20)21(26)24(22(17)27)11-10-13-12-23-18-7-2-1-4-14(13)18/h1-9,12,23,25H,10-11H2 |
| InChIK | XKJBNULNTPNJFD-UHFFFAOYSA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 3.7299 |
| CLogS | -4.895 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.96 |
| Relative PSA | 0.21988 |
| PolarSurfaceArea | 73.4 |
| Druglikeness | 3.7298 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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