N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Formula:C14H12N5OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C14H12N5OFS |
| Smiles | O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)NC1CC1 |
| InChI | InChI=1S/C14H12FN5OS/c15-7-1-4-10-9(5-7)12-13(17-10)18-14(20-19-12)22-6-11(21)16-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,21)(H,17,18,20) |
| InChIK | KMEYXWYWWATMAI-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.074658 |
| CLogP | 1.5534 |
| CLogS | -4.321 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.64 |
| Relative PSA | 0.40106 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | 1.3445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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