N-(6H-indolo[3,2-b]quinoxalin-9-yl)thiomorpholine-4-carbothioamide
Formula:C19H17N5S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(6H-indolo[3,2-b]quinoxalin-9-yl)thiomorpholine-4-carbothioamide is a drug-like molecule.
| MolName | N-(6H-indolo[3,2-b]quinoxalin-9-yl)thiomorpholine-4-carbothioamide |
| MolecularFormula | C19H17N5S2 |
| Smiles | S=C(Nc(cc1)cc2c1[nH]c1nc3ccccc3nc12)N1CCSCC1 |
| InChI | InChI=1S/C19H17N5S2/c25-19(24-7-9-26-10-8-24)20-12-5-6-14-13(11-12)17-18(22-14)23-16-4-2-1-3-15(16)21-17/h1-6,11H,7-10H2,(H,20,25)(H,22,23) |
| InChIK | URGMONGKEUEMFG-UHFFFAOYSA-N |
| TotalMolweight | 379.511 |
| Molweight | 379.511 |
| MonoisotopicMass | 379.092535 |
| CLogP | 3.3307 |
| CLogS | -5.184 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.65 |
| Relative PSA | 0.34731 |
| PolarSurfaceArea | 114.23 |
| Druglikeness | 1.8479 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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