2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
Formula:C15H14N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-morpholin-4-ylethanone is a drug-like molecule.
| MolName | 2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-morpholin-4-ylethanone |
| MolecularFormula | C15H14N5O2ClS |
| Smiles | O=C(CSc1nnc(c(cc(cc2)Cl)c2[nH]2)c2n1)N1CCOCC1 |
| InChI | InChI=1S/C15H14ClN5O2S/c16-9-1-2-11-10(7-9)13-14(17-11)18-15(20-19-13)24-8-12(22)21-3-5-23-6-4-21/h1-2,7H,3-6,8H2,(H,17,18,20) |
| InChIK | NFZHGDLXMSSZOP-UHFFFAOYSA-N |
| TotalMolweight | 363.828 |
| Molweight | 363.828 |
| MonoisotopicMass | 363.055672 |
| CLogP | 1.7644 |
| CLogS | -3.684 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 254.57 |
| Relative PSA | 0.35739 |
| PolarSurfaceArea | 109.3 |
| Druglikeness | 3.4033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-morpholin-4-ylethanone | 2 - 2-[(8-chloro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
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