N-(6H-indolo[3,2-b]quinoxalin-9-yl)pyrrolidine-1-carbothioamide
Formula:C19H17N5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(6H-indolo[3,2-b]quinoxalin-9-yl)pyrrolidine-1-carbothioamide is a drug-like molecule.
| MolName | N-(6H-indolo[3,2-b]quinoxalin-9-yl)pyrrolidine-1-carbothioamide |
| MolecularFormula | C19H17N5S |
| Smiles | S=C(Nc(cc1)cc2c1[nH]c1nc3ccccc3nc12)N1CCCC1 |
| InChI | InChI=1S/C19H17N5S/c25-19(24-9-3-4-10-24)20-12-7-8-14-13(11-12)17-18(22-14)23-16-6-2-1-5-15(16)21-17/h1-2,5-8,11H,3-4,9-10H2,(H,20,25)(H,22,23) |
| InChIK | GSNAYZLBCDAEKA-UHFFFAOYSA-N |
| TotalMolweight | 347.445 |
| Molweight | 347.445 |
| MonoisotopicMass | 347.120465 |
| CLogP | 3.7458 |
| CLogS | -5.117 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.16 |
| Relative PSA | 0.30343 |
| PolarSurfaceArea | 88.93 |
| Druglikeness | 1.6664 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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