(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C19H24N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C19H24N2O7S |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N1CCOCC1 |
| InChI | InChI=1S/C19H24N2O7S/c22-18(20-7-11-26-12-8-20)15-28-19(23)6-3-16-1-4-17(5-2-16)29(24,25)21-9-13-27-14-10-21/h1-6H,7-15H2 |
| InChIK | HZYUMBSNCWSEHU-UHFFFAOYSA-N |
| TotalMolweight | 424.473 |
| Molweight | 424.473 |
| MonoisotopicMass | 424.130423 |
| CLogP | 0.2638 |
| CLogS | -0.805 |
| H Acceptors | 9 |
| TotalSurfaceArea | 311.28 |
| Relative PSA | 0.29478 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | 3.188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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