3-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]propanoic acid
Formula:C17H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]propanoic acid is a drug-like molecule.
| MolName | 3-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]propanoic acid |
| MolecularFormula | C17H16N2O5 |
| Smiles | OC(CCNC(/C(/NC(c1ccco1)=O)=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H16N2O5/c20-15(21)8-9-18-16(22)13(11-12-5-2-1-3-6-12)19-17(23)14-7-4-10-24-14/h1-7,10-11H,8-9H2,(H,18,22)(H,19,23)(H,20,21) |
| InChIK | KYCKWRILHUFZMA-UHFFFAOYSA-N |
| TotalMolweight | 328.323 |
| Molweight | 328.323 |
| MonoisotopicMass | 328.105923 |
| CLogP | 1.4882 |
| CLogS | -3.093 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 257.46 |
| Relative PSA | 0.34666 |
| PolarSurfaceArea | 108.64 |
| Druglikeness | 3.5284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]propanoic acid
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