8-fluoro-3-[[4-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Formula:C26H16N8F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-fluoro-3-[[4-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is not a drug-like molecule.
| MolName | 8-fluoro-3-[[4-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole |
| MolecularFormula | C26H16N8F2S2 |
| Smiles | Fc(cc1)cc2c1[nH]c1nc(SCc3ccc(CSc4nnc(c(cc(cc5)F)c5[nH]5)c5n4)cc3)nnc12 |
| InChI | InChI=1S/C26H16F2N8S2/c27-15-5-7-19-17(9-15)21-23(29-19)31-25(35-33-21)37-11-13-1-2-14(4-3-13)12-38-26-32-24-22(34-36-26)18-10-16(28)6-8-20(18)30-24/h1-10H,11-12H2,(H,29,31,35)(H,30,32,36) |
| InChIK | LOTCCRUSWHPPAE-UHFFFAOYSA-N |
| TotalMolweight | 542.597 |
| Molweight | 542.597 |
| MonoisotopicMass | 542.090738 |
| CLogP | 5.0074 |
| CLogS | -9.262 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 378.08 |
| Relative PSA | 0.34062 |
| PolarSurfaceArea | 159.52 |
| Druglikeness | -1.4875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 4 |
| Symmetricatoms | 20 |
| Aromatic Nitrogens | 8 |
| StereoCon |
Click to Load Molecule:
1 - 8-fluoro-3-[[4-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole | 2 - 8-fluoro-3-[[4-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
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