(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C27H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C27H25N3O3 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1OCc1ccccc1)N1CCOCC1 |
| InChI | InChI=1S/C27H25N3O3/c31-27(30-14-16-32-17-15-30)23(26-28-24-8-4-5-9-25(24)29-26)18-20-10-12-22(13-11-20)33-19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,28,29) |
| InChIK | GZTFQGFIWNYWGV-UHFFFAOYSA-N |
| TotalMolweight | 439.514 |
| Molweight | 439.514 |
| MonoisotopicMass | 439.189592 |
| CLogP | 3.8371 |
| CLogS | -3.489 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.77 |
| Relative PSA | 0.17904 |
| PolarSurfaceArea | 67.45 |
| Druglikeness | 4.1622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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