bis[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane
Formula:C38H48N3OPS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
bis[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane is not a drug-like molecule.
| MolName | bis[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane |
| MolecularFormula | C38H48N3OPS |
| Smiles | S=P(C(CC/C1=C\c2ccccc2)=C1N1CCCCC1)(C(CC/C1=C\c2ccccc2)=C1N1CCCCC1)N1CCOCC1 |
| InChI | InChI=1S/C38H48N3OPS/c44-43(41-25-27-42-28-26-41,35-19-17-33(29-31-13-5-1-6-14-31)37(35)39-21-9-3-10-22-39)36-20-18-34(30-32-15-7-2-8-16-32)38(36)40-23-11-4-12-24-40/h1-2,5-8,13-16,29-30H,3-4,9-12,17-28H2 |
| InChIK | BFOLAFOCNRPKHE-UHFFFAOYSA-N |
| TotalMolweight | 625.859 |
| Molweight | 625.859 |
| MonoisotopicMass | 625.325569 |
| CLogP | 8.1747 |
| CLogS | -8.326 |
| H Acceptors | 4 |
| TotalSurfaceArea | 488.09 |
| Relative PSA | 0.10783 |
| PolarSurfaceArea | 60.85 |
| Druglikeness | -13.144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.38636 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 21 |
| Symmetricatoms | 24 |
| StereoCon |
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