4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]morpholine
Formula:C15H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]morpholine is a drug-like molecule.
| MolName | 4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]morpholine |
| MolecularFormula | C15H17N5OS |
| Smiles | C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)N1CCOCC1 |
| InChI | InChI=1S/C15H17N5OS/c1-2-4-12-11(3-1)13-14(16-12)17-15(19-18-13)22-10-7-20-5-8-21-9-6-20/h1-4H,5-10H2,(H,16,17,19) |
| InChIK | QPESVTBTQVSHRG-UHFFFAOYSA-N |
| TotalMolweight | 315.4 |
| Molweight | 315.4 |
| MonoisotopicMass | 315.11538 |
| CLogP | 1.508 |
| CLogS | -2.966 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.16 |
| Relative PSA | 0.33143 |
| PolarSurfaceArea | 92.23 |
| Druglikeness | 1.8413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]morpholine | 2 - 4-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]morpholine
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