(2R)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide
Formula:C20H18N6O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | (2R)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide |
| MolecularFormula | C20H18N6O |
| Smiles | N[C@H](Cc1c[nH]c2c1cccc2)C(N/N=C\c1cc2nccnc2cc1)=O |
| InChI | InChI=1S/C20H18N6O/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18/h1-9,11-12,16,24H,10,21H2,(H,26,27)/t16-/m1/s1 |
| InChIK | FGYHLIHEFHCMPP-MRXNPFEDSA-N |
| TotalMolweight | 358.404 |
| Molweight | 358.404 |
| MonoisotopicMass | 358.154209 |
| CLogP | 1.7115 |
| CLogS | -3.964 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 278.06 |
| Relative PSA | 0.31364 |
| PolarSurfaceArea | 109.05 |
| Druglikeness | 1.7383 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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