[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C17H19N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C17H19N2O4F |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1F)=O)NC(NC1CCCC1)=O |
| InChI | InChI=1S/C17H19FN2O4/c18-13-8-5-12(6-9-13)7-10-16(22)24-11-15(21)20-17(23)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H2,19,20,21,23) |
| InChIK | WTABSEDWFJZIKG-UHFFFAOYSA-N |
| TotalMolweight | 334.346 |
| Molweight | 334.346 |
| MonoisotopicMass | 334.132886 |
| CLogP | 2.0857 |
| CLogS | -3.973 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 260.08 |
| Relative PSA | 0.27699 |
| PolarSurfaceArea | 84.5 |
| Druglikeness | -2.5453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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