[3-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C29H32N2O11S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [3-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C29H32N2O11S2 |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O |
| InChI | InChI=1S/C29H32N2O11S2/c32-25(21-41-28(33)11-5-23-1-7-26(8-2-23)43(35,36)30-13-17-39-18-14-30)22-42-29(34)12-6-24-3-9-27(10-4-24)44(37,38)31-15-19-40-20-16-31/h1-12H,13-22H2 |
| InChIK | GENYQCZWWONNJX-UHFFFAOYSA-N |
| TotalMolweight | 648.708 |
| Molweight | 648.708 |
| MonoisotopicMass | 648.144753 |
| CLogP | 1.126 |
| CLogS | -2.204 |
| H Acceptors | 13 |
| TotalSurfaceArea | 467.63 |
| Relative PSA | 0.30661 |
| PolarSurfaceArea | 179.65 |
| Druglikeness | 1.7751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65909 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 12 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 16 |
| Symmetricatoms | 26 |
| Amides | 2 |
| StereoCon |
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1 - [3-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate | 2 - [3-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
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