(E)-N-(1-adamantyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C23H30N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C23H30N2O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C23H30N2O4S/c26-22(24-23-14-18-11-19(15-23)13-20(12-18)16-23)6-3-17-1-4-21(5-2-17)30(27,28)25-7-9-29-10-8-25/h1-6,18-20H,7-16H2,(H,24,26) |
| InChIK | KHYWSJWPFSJPEY-UHFFFAOYSA-N |
| TotalMolweight | 430.567 |
| Molweight | 430.567 |
| MonoisotopicMass | 430.192628 |
| CLogP | 2.5456 |
| CLogS | -3.532 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.36 |
| Relative PSA | 0.21538 |
| PolarSurfaceArea | 84.09 |
| Druglikeness | 2.7161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 11 |
| Amides | 2 |
| StereoCon |
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