(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C20H26N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C20H26N2O6S |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N1CCCCC1 |
| InChI | InChI=1S/C20H26N2O6S/c23-19(21-10-2-1-3-11-21)16-28-20(24)9-6-17-4-7-18(8-5-17)29(25,26)22-12-14-27-15-13-22/h4-9H,1-3,10-16H2 |
| InChIK | QRFJLSGTYYSCHC-UHFFFAOYSA-N |
| TotalMolweight | 422.5 |
| Molweight | 422.5 |
| MonoisotopicMass | 422.151158 |
| CLogP | 1.4278 |
| CLogS | -1.694 |
| H Acceptors | 8 |
| TotalSurfaceArea | 315.04 |
| Relative PSA | 0.25952 |
| PolarSurfaceArea | 101.6 |
| Druglikeness | 0.76493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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