(2S)-2-amino-N-[(Z)-2H-chromen-3-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
Formula:C21H20N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2S)-2-amino-N-[(Z)-2H-chromen-3-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.
| MolName | (2S)-2-amino-N-[(Z)-2H-chromen-3-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide |
| MolecularFormula | C21H20N4O2 |
| Smiles | N[C@@H](Cc1c[nH]c2c1cccc2)C(N/N=C\C1=Cc(cccc2)c2OC1)=O |
| InChI | InChI=1S/C21H20N4O2/c22-18(10-16-12-23-19-7-3-2-6-17(16)19)21(26)25-24-11-14-9-15-5-1-4-8-20(15)27-13-14/h1-9,11-12,18,23H,10,13,22H2,(H,25,26)/t18-/m0/s1 |
| InChIK | KPQGFNLCXWFIME-SFHVURJKSA-N |
| TotalMolweight | 360.416 |
| Molweight | 360.416 |
| MonoisotopicMass | 360.158626 |
| CLogP | 2.0458 |
| CLogS | -4.438 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 280.91 |
| Relative PSA | 0.26795 |
| PolarSurfaceArea | 92.5 |
| Druglikeness | 1.6646 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-2-amino-N-[(Z)-2H-chromen-3-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide | 2 - (2S)-2-amino-N-[(Z)-2H-chromen-3-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
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