(E)-3-(4-morpholin-4-ylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C23H26N2O4S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(E)-3-(4-morpholin-4-ylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-morpholin-4-ylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C23H26N2O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1N1CCOCC1)c(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C23H26N2O4S/c26-23(12-5-19-3-8-21(9-4-19)24-15-17-29-18-16-24)20-6-10-22(11-7-20)30(27,28)25-13-1-2-14-25/h3-12H,1-2,13-18H2 |
| InChIK | UDPUKMWGNCQMCM-UHFFFAOYSA-N |
| TotalMolweight | 426.535 |
| Molweight | 426.535 |
| MonoisotopicMass | 426.161328 |
| CLogP | 2.8376 |
| CLogS | -3.768 |
| H Acceptors | 6 |
| TotalSurfaceArea | 319.53 |
| Relative PSA | 0.18377 |
| PolarSurfaceArea | 75.3 |
| Druglikeness | 2.3328 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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