(Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid
Formula:C22H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-hydroxy-3-phenyl-3-[2-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C22H24N2O4 |
| Smiles | O/C(/C(O)=O)=C(/c1ccccc1)\c(cccc1)c1C(NCCN1CCCC1)=O |
| InChI | InChI=1S/C22H24N2O4/c25-20(22(27)28)19(16-8-2-1-3-9-16)17-10-4-5-11-18(17)21(26)23-12-15-24-13-6-7-14-24/h1-5,8-11,25H,6-7,12-15H2,(H,23,26)(H,27,28) |
| InChIK | NCOFVTOKHWJBGD-UHFFFAOYSA-N |
| TotalMolweight | 380.443 |
| Molweight | 380.443 |
| MonoisotopicMass | 380.173608 |
| CLogP | 0.859 |
| CLogS | -3.249 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 294.96 |
| Relative PSA | 0.22813 |
| PolarSurfaceArea | 89.87 |
| Druglikeness | 4.9324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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