[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C17H23NO4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclooctylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C17H23NO4 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)NC1CCCCCCC1 |
| InChI | InChI=1S/C17H23NO4/c19-16(18-14-7-4-2-1-3-5-8-14)13-22-17(20)11-10-15-9-6-12-21-15/h6,9-12,14H,1-5,7-8,13H2,(H,18,19) |
| InChIK | UZRSQZWJBKAWBH-UHFFFAOYSA-N |
| TotalMolweight | 305.373 |
| Molweight | 305.373 |
| MonoisotopicMass | 305.162709 |
| CLogP | 3.1434 |
| CLogS | -3.69 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.49 |
| Relative PSA | 0.2413 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | -3.9132 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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