2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3-(1H-indol-3-yl)propanoic acid
Formula:C20H17N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3-(1H-indol-3-yl)propanoic acid is a drug-like molecule.
| MolName | 2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| MolecularFormula | C20H17N2O3F |
| Smiles | OC(C(Cc1c[nH]c2c1cccc2)N/C=C/C(c(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C20H17FN2O3/c21-15-7-5-13(6-8-15)19(24)9-10-22-18(20(25)26)11-14-12-23-17-4-2-1-3-16(14)17/h1-10,12,18,22-23H,11H2,(H,25,26)/t18-/m0/s1 |
| InChIK | HSOMWWVCKCXUDM-SFHVURJKSA-N |
| TotalMolweight | 352.364 |
| Molweight | 352.364 |
| MonoisotopicMass | 352.122321 |
| CLogP | 1.8372 |
| CLogS | -4.406 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 269.61 |
| Relative PSA | 0.23972 |
| PolarSurfaceArea | 82.19 |
| Druglikeness | -1.7253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3-(1H-indol-3-yl)propanoic acid | 2 - 2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3-(1H-indol-3-yl)propanoic acid
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