O-(6H-indolo[2,3-b]quinoxalin-2-yl) N-(2-hydroxyethyl)-N-phenylcarbamothioate
Formula:C23H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
O-(6H-indolo[2,3-b]quinoxalin-2-yl) N-(2-hydroxyethyl)-N-phenylcarbamothioate is a drug-like molecule.
| MolName | O-(6H-indolo[2,3-b]quinoxalin-2-yl) N-(2-hydroxyethyl)-N-phenylcarbamothioate |
| MolecularFormula | C23H18N4O2S |
| Smiles | OCCN(C(Oc1cc2nc(c(cccc3)c3[nH]3)c3nc2cc1)=S)c1ccccc1 |
| InChI | InChI=1S/C23H18N4O2S/c28-13-12-27(15-6-2-1-3-7-15)23(30)29-16-10-11-19-20(14-16)24-21-17-8-4-5-9-18(17)25-22(21)26-19/h1-11,14,28H,12-13H2,(H,25,26) |
| InChIK | VOVTYTMVNUHZHZ-UHFFFAOYSA-N |
| TotalMolweight | 414.488 |
| Molweight | 414.488 |
| MonoisotopicMass | 414.115046 |
| CLogP | 4.409 |
| CLogS | -6.027 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.79 |
| Relative PSA | 0.29145 |
| PolarSurfaceArea | 106.36 |
| Druglikeness | 1.3282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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