(2S)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinolin-8-ylmethylideneamino]propanamide
Formula:C21H19N5O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinolin-8-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | (2S)-2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinolin-8-ylmethylideneamino]propanamide |
| MolecularFormula | C21H19N5O |
| Smiles | N[C@@H](Cc1c[nH]c2c1cccc2)C(N/N=C\c1cccc2cccnc12)=O |
| InChI | InChI=1S/C21H19N5O/c22-18(11-16-12-24-19-9-2-1-8-17(16)19)21(27)26-25-13-15-6-3-5-14-7-4-10-23-20(14)15/h1-10,12-13,18,24H,11,22H2,(H,26,27)/t18-/m0/s1 |
| InChIK | VUVBBCXTQOLSSB-SFHVURJKSA-N |
| TotalMolweight | 357.416 |
| Molweight | 357.416 |
| MonoisotopicMass | 357.15896 |
| CLogP | 2.5899 |
| CLogS | -4.864 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 279.3 |
| Relative PSA | 0.27297 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 1.7383 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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