(E)-N-cyclohexyl-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide
Formula:C24H26N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-cyclohexyl-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclohexyl-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide |
| MolecularFormula | C24H26N2O3 |
| Smiles | O=C(/C=C/c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)NC1CCCCC1 |
| InChI | InChI=1S/C24H26N2O3/c27-20(25-18-6-2-1-3-7-18)12-9-15-5-4-8-19(13-15)26-23(28)21-16-10-11-17(14-16)22(21)24(26)29/h4-5,8-13,16-18,21-22H,1-3,6-7,14H2,(H,25,27) |
| InChIK | XWXXVEGWEPANJJ-UHFFFAOYSA-N |
| TotalMolweight | 390.481 |
| Molweight | 390.481 |
| MonoisotopicMass | 390.194343 |
| CLogP | 2.8993 |
| CLogS | -5.105 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.33 |
| Relative PSA | 0.18517 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | -2.3771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-N-cyclohexyl-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide | 2 - (E)-N-cyclohexyl-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide
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