2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]indene-1,3-dione
Formula:C23H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]indene-1,3-dione is a drug-like molecule.
| MolName | 2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]indene-1,3-dione |
| MolecularFormula | C23H18N2O3 |
| Smiles | O=C(C1=Cc2cc3ccccc3nc2N2CCOCC2)c(cccc2)c2C1=O |
| InChI | InChI=1S/C23H18N2O3/c26-21-17-6-2-3-7-18(17)22(27)19(21)14-16-13-15-5-1-4-8-20(15)24-23(16)25-9-11-28-12-10-25/h1-8,13-14H,9-12H2 |
| InChIK | LNVRLXQWGFHMNA-UHFFFAOYSA-N |
| TotalMolweight | 370.407 |
| Molweight | 370.407 |
| MonoisotopicMass | 370.131743 |
| CLogP | 3.4564 |
| CLogS | -5.528 |
| H Acceptors | 5 |
| TotalSurfaceArea | 274.93 |
| Relative PSA | 0.18405 |
| PolarSurfaceArea | 59.5 |
| Druglikeness | 2.5314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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