phenyl-[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)phenyl]methanone
Formula:C23H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl-[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)phenyl]methanone is a drug-like molecule.
| MolName | phenyl-[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)phenyl]methanone |
| MolecularFormula | C23H16N4OS |
| Smiles | O=C(c1ccccc1)c1ccc(CSc2nnc(c(cccc3)c3[nH]3)c3n2)cc1 |
| InChI | InChI=1S/C23H16N4OS/c28-21(16-6-2-1-3-7-16)17-12-10-15(11-13-17)14-29-23-25-22-20(26-27-23)18-8-4-5-9-19(18)24-22/h1-13H,14H2,(H,24,25,27) |
| InChIK | DCMQGQQEYYYEDD-UHFFFAOYSA-N |
| TotalMolweight | 396.473 |
| Molweight | 396.473 |
| MonoisotopicMass | 396.104481 |
| CLogP | 4.3627 |
| CLogS | -7.225 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.83 |
| Relative PSA | 0.26086 |
| PolarSurfaceArea | 96.83 |
| Druglikeness | 0.41688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - phenyl-[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)phenyl]methanone | 2 - phenyl-[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)phenyl]methanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off