1-(2,3-dihydroindol-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
Formula:C19H14N5OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,3-dihydroindol-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone is a drug-like molecule.
| MolName | 1-(2,3-dihydroindol-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone |
| MolecularFormula | C19H14N5OFS |
| Smiles | O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)N(CC1)c2c1cccc2 |
| InChI | InChI=1S/C19H14FN5OS/c20-12-5-6-14-13(9-12)17-18(21-14)22-19(24-23-17)27-10-16(26)25-8-7-11-3-1-2-4-15(11)25/h1-6,9H,7-8,10H2,(H,21,22,24) |
| InChIK | IESQSYKYRCAFIU-UHFFFAOYSA-N |
| TotalMolweight | 379.418 |
| Molweight | 379.418 |
| MonoisotopicMass | 379.090308 |
| CLogP | 3.1192 |
| CLogS | -5.389 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.74 |
| Relative PSA | 0.30246 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 2.329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-(2,3-dihydroindol-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone | 2 - 1-(2,3-dihydroindol-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
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