(1E)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide
Formula:C13H15N5O3S2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(1E)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide |
| MolecularFormula | C13H15N5O3S2 |
| Smiles | NC(/C(/C#N)=N/Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S |
| InChI | InChI=1S/C13H15N5O3S2/c14-9-12(13(15)22)17-16-10-1-3-11(4-2-10)23(19,20)18-5-7-21-8-6-18/h1-4,16H,5-8H2,(H2,15,22) |
| InChIK | CBDUSBXALDFHAY-UHFFFAOYSA-N |
| TotalMolweight | 353.426 |
| Molweight | 353.426 |
| MonoisotopicMass | 353.06163 |
| CLogP | 0.7139 |
| CLogS | -1.957 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 261.05 |
| Relative PSA | 0.46708 |
| PolarSurfaceArea | 161.28 |
| Druglikeness | -1.2365 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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