(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one
Formula:C24H21N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C24H21N3O2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc2ccccc12)N1CCOCC1 |
| InChI | InChI=1S/C24H21N3O2/c28-24(27-12-14-29-15-13-27)20(23-25-21-10-3-4-11-22(21)26-23)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,16H,12-15H2,(H,25,26) |
| InChIK | PRDKGRSEHZJXMP-UHFFFAOYSA-N |
| TotalMolweight | 383.45 |
| Molweight | 383.45 |
| MonoisotopicMass | 383.163377 |
| CLogP | 3.6834 |
| CLogS | -3.754 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.85 |
| Relative PSA | 0.17483 |
| PolarSurfaceArea | 58.22 |
| Druglikeness | 4.1622 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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