(E)-N-(1-adamantyl)-3-phenylsulfanylprop-2-enamide
Formula:C19H23NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C19H23NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H23NOS/c21-18(6-7-22-17-4-2-1-3-5-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-7,14-16H,8-13H2,(H,20,21) |
| InChIK | CUZDJRSDQOGYBD-UHFFFAOYSA-N |
| TotalMolweight | 313.464 |
| Molweight | 313.464 |
| MonoisotopicMass | 313.150034 |
| CLogP | 3.5493 |
| CLogS | -4.714 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.43 |
| Relative PSA | 0.1776 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 1.0529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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