4,5-diamino-2-fluoro-5-oxopentanoic acid
Formula:C5H9N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,5-diamino-2-fluoro-5-oxopentanoic acid is a drug-like molecule.
| MolName | 4,5-diamino-2-fluoro-5-oxopentanoic acid |
| MolecularFormula | C5H9N2O3F |
| Smiles | NC(CC(C(O)=O)F)C(N)=O |
| InChI | InChI=1S/C5H9FN2O3/c6-2(5(10)11)1-3(7)4(8)9/h2-3H,1,7H2,(H2,8,9)(H,10,11) |
| InChIK | VNARKFMVXYXNIO-UHFFFAOYSA-N |
| TotalMolweight | 164.135 |
| Molweight | 164.135 |
| MonoisotopicMass | 164.059721 |
| CLogP | -4.0771 |
| CLogS | -0.68 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 117.5 |
| Relative PSA | 0.59336 |
| PolarSurfaceArea | 106.41 |
| Druglikeness | -11.806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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