[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
Formula:C14H16NO4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclopentylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate |
| MolecularFormula | C14H16NO4Br |
| Smiles | O=C(COC(/C=C/c(o1)ccc1Br)=O)NC1CCCC1 |
| InChI | InChI=1S/C14H16BrNO4/c15-12-7-5-11(20-12)6-8-14(18)19-9-13(17)16-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,16,17) |
| InChIK | NLPJNEQJDUEFOS-UHFFFAOYSA-N |
| TotalMolweight | 342.188 |
| Molweight | 342.188 |
| MonoisotopicMass | 341.02627 |
| CLogP | 2.2105 |
| CLogS | -3.477 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.84 |
| Relative PSA | 0.26477 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | -3.6795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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