1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
Formula:C20H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone is a drug-like molecule.
| MolName | 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone |
| MolecularFormula | C20H17N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)N(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C20H17N5OS/c26-17(25-11-5-7-13-6-1-4-10-16(13)25)12-27-20-22-19-18(23-24-20)14-8-2-3-9-15(14)21-19/h1-4,6,8-10H,5,7,11-12H2,(H,21,22,24) |
| InChIK | UGQPDZHMQNBORB-UHFFFAOYSA-N |
| TotalMolweight | 375.455 |
| Molweight | 375.455 |
| MonoisotopicMass | 375.11538 |
| CLogP | 3.3604 |
| CLogS | -5.345 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.15 |
| Relative PSA | 0.29431 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 2.7948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone | 2 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
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