phenyl (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidothioate
Formula:C15H22N3O4PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
phenyl (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidothioate is a drug-like molecule.
| MolName | phenyl (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidothioate |
| MolecularFormula | C15H22N3O4PS |
| Smiles | O/N=C(/P(N1CCOCC1)(N1CCOCC1)=O)\Sc1ccccc1 |
| InChI | InChI=1S/C15H22N3O4PS/c19-16-15(24-14-4-2-1-3-5-14)23(20,17-6-10-21-11-7-17)18-8-12-22-13-9-18/h1-5,19H,6-13H2 |
| InChIK | NCSJGTJBMCQNER-UHFFFAOYSA-N |
| TotalMolweight | 371.397 |
| Molweight | 371.397 |
| MonoisotopicMass | 371.106864 |
| CLogP | 1.4646 |
| CLogS | -3.254 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 267.52 |
| Relative PSA | 0.32229 |
| PolarSurfaceArea | 109.71 |
| Druglikeness | -10.107 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 10 |
| StereoCon |
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