(2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
Formula:C22H17N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate is a drug-like molecule.
| MolName | (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate |
| MolecularFormula | C22H17N2O6 |
| Smiles | [O-]C([C@H](Cc1c[nH]c2c1cccc2)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O |
| InChI | InChI=1S/C22H18N2O6/c25-14-5-6-16-12(9-21(27)30-19(16)10-14)8-20(26)24-18(22(28)29)7-13-11-23-17-4-2-1-3-15(13)17/h1-6,9-11,18,23,25H,7-8H2,(H,24,26)(H,28,29)/p-1/t18-/m0/s1 |
| InChIK | FAHZZVDBRSXCPZ-SFHVURJKSA-M |
| TotalMolweight | 405.385 |
| Molweight | 405.385 |
| MonoisotopicMass | 405.108663 |
| CLogP | -0.7437 |
| CLogS | -3.353 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 297.01 |
| Relative PSA | 0.34325 |
| PolarSurfaceArea | 131.55 |
| Druglikeness | 1.7044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate | 2 - (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
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