| MolName | N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide |
| MolecularFormula | C24H26N2O3 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)Nc1cccc(NC(/C=C/c2ccco2)=O)c1 |
| InChI | InChI=1S/C24H26N2O3/c27-22(7-6-21-5-2-8-29-21)25-19-3-1-4-20(12-19)26-23(28)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H,25,27)(H,26,28) |
| InChIK | LDKIFMQAZPNYCJ-UHFFFAOYSA-N |
| TotalMolweight | 390.481 |
| Molweight | 390.481 |
| MonoisotopicMass | 390.194343 |
| CLogP | 3.9258 |
| CLogS | -5.677 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.6 |
| Relative PSA | 0.21206 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.285 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide | 2 - N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]adamantane-1-carboxamide