dimorpholin-4-yl-[(E)-2-piperidin-1-ylethenyl]-sulfanylidene-lambda5-phosphane
Formula:C15H28N3O2PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
dimorpholin-4-yl-[(E)-2-piperidin-1-ylethenyl]-sulfanylidene-lambda5-phosphane is a drug-like molecule.
| MolName | dimorpholin-4-yl-[(E)-2-piperidin-1-ylethenyl]-sulfanylidene-lambda5-phosphane |
| MolecularFormula | C15H28N3O2PS |
| Smiles | S=P(/C=C/N1CCCCC1)(N1CCOCC1)N1CCOCC1 |
| InChI | InChI=1S/C15H28N3O2PS/c22-21(17-6-11-19-12-7-17,18-8-13-20-14-9-18)15-10-16-4-2-1-3-5-16/h10,15H,1-9,11-14H2 |
| InChIK | LOWVRVUSPXKVQJ-UHFFFAOYSA-N |
| TotalMolweight | 345.446 |
| Molweight | 345.446 |
| MonoisotopicMass | 345.163984 |
| CLogP | 1.5014 |
| CLogS | -2.207 |
| H Acceptors | 5 |
| TotalSurfaceArea | 268.01 |
| Relative PSA | 0.23369 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | -9.5215 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 17 |
| Symmetricatoms | 10 |
| StereoCon |
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