(E)-1-(4-benzylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
Formula:C25H30N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-benzylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-benzylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C25H30N2O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C25H30N2O4S/c28-25(26-14-12-23(13-15-26)20-22-4-2-1-3-5-22)11-8-21-6-9-24(10-7-21)32(29,30)27-16-18-31-19-17-27/h1-11,23H,12-20H2 |
| InChIK | BEVIFHACTLJBMF-UHFFFAOYSA-N |
| TotalMolweight | 454.589 |
| Molweight | 454.589 |
| MonoisotopicMass | 454.192628 |
| CLogP | 3.5811 |
| CLogS | -3.086 |
| H Acceptors | 6 |
| TotalSurfaceArea | 345.79 |
| Relative PSA | 0.16981 |
| PolarSurfaceArea | 75.3 |
| Druglikeness | 3.64 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 9 |
| Amides | 2 |
| StereoCon |
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