3-(1H-indol-3-yl)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid
Formula:C19H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(1H-indol-3-yl)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid is a drug-like molecule.
| MolName | 3-(1H-indol-3-yl)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid |
| MolecularFormula | C19H17N3O3 |
| Smiles | OC(C(Cc1c[nH]c2c1cccc2)NC(/C=C/c1ncccc1)=O)=O |
| InChI | InChI=1S/C19H17N3O3/c23-18(9-8-14-5-3-4-10-20-14)22-17(19(24)25)11-13-12-21-16-7-2-1-6-15(13)16/h1-10,12,17,21H,11H2,(H,22,23)(H,24,25)/t17-/m0/s1 |
| InChIK | UIMTZSFVAUUJNX-KRWDZBQOSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 1.4513 |
| CLogS | -3.033 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 262.02 |
| Relative PSA | 0.28853 |
| PolarSurfaceArea | 95.08 |
| Druglikeness | -9.8375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-(1H-indol-3-yl)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid | 2 - 3-(1H-indol-3-yl)-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propanoic acid
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