(Z)-2-hydroxy-3-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-phenylprop-2-enoic acid
Formula:C22H24N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-hydroxy-3-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-hydroxy-3-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-phenylprop-2-enoic acid |
| MolecularFormula | C22H24N2O5 |
| Smiles | O/C(/C(O)=O)=C(/c1ccccc1)\c(cccc1)c1C(NCCN1CCOCC1)=O |
| InChI | InChI=1S/C22H24N2O5/c25-20(22(27)28)19(16-6-2-1-3-7-16)17-8-4-5-9-18(17)21(26)23-10-11-24-12-14-29-15-13-24/h1-9,25H,10-15H2,(H,23,26)(H,27,28) |
| InChIK | IBIZGJMOPOWKOU-UHFFFAOYSA-N |
| TotalMolweight | 396.442 |
| Molweight | 396.442 |
| MonoisotopicMass | 396.168523 |
| CLogP | 0.037 |
| CLogS | -2.63 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 304.96 |
| Relative PSA | 0.25344 |
| PolarSurfaceArea | 99.1 |
| Druglikeness | 4.4445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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