3-[(3E)-3-amino-3-hydroxyiminopropyl]sulfanyl-N'-hydroxypropanimidamide
Formula:C6H14N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3E)-3-amino-3-hydroxyiminopropyl]sulfanyl-N'-hydroxypropanimidamide is a drug-like molecule.
| MolName | 3-[(3E)-3-amino-3-hydroxyiminopropyl]sulfanyl-N'-hydroxypropanimidamide |
| MolecularFormula | C6H14N4O2S |
| Smiles | N/C(/CCSCC/C(/N)=N\O)=N/O |
| InChI | InChI=1S/C6H14N4O2S/c7-5(9-11)1-3-13-4-2-6(8)10-12/h11-12H,1-4H2,(H2,7,9)(H2,8,10) |
| InChIK | VTFBMULOQCDQGQ-UHFFFAOYSA-N |
| TotalMolweight | 206.269 |
| Molweight | 206.269 |
| MonoisotopicMass | 206.083746 |
| CLogP | 0.4268 |
| CLogS | -1.983 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 161.71 |
| Relative PSA | 0.60139 |
| PolarSurfaceArea | 142.52 |
| Druglikeness | -2.2037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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