[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C18H22N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C18H22N2O6S |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)NC1CC1 |
| InChI | InChI=1S/C18H22N2O6S/c21-17(19-15-4-5-15)13-26-18(22)8-3-14-1-6-16(7-2-14)27(23,24)20-9-11-25-12-10-20/h1-3,6-8,15H,4-5,9-13H2,(H,19,21) |
| InChIK | RTELGRPZAJMXKD-UHFFFAOYSA-N |
| TotalMolweight | 394.447 |
| Molweight | 394.447 |
| MonoisotopicMass | 394.119858 |
| CLogP | 0.558 |
| CLogS | -1.864 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 287.42 |
| Relative PSA | 0.31198 |
| PolarSurfaceArea | 110.39 |
| Druglikeness | 3.0218 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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