[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C19H23NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C19H23NO4 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H23NO4/c21-17(12-24-18(22)4-3-16-2-1-5-23-16)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H,20,21) |
| InChIK | JWJYOHSVDLNVTA-UHFFFAOYSA-N |
| TotalMolweight | 329.395 |
| Molweight | 329.395 |
| MonoisotopicMass | 329.162709 |
| CLogP | 2.2494 |
| CLogS | -3.911 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.14 |
| Relative PSA | 0.24646 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 1.3682 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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