(Z)-4-[3-[[4-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
Formula:C28H22O10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-[3-[[4-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid is not a drug-like molecule.
| MolName | (Z)-4-[3-[[4-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid |
| MolecularFormula | C28H22O10 |
| Smiles | O/C(/c1cccc(OCc2ccc(COc3cccc(/C(/O)=C/C(C(O)=O)=O)c3)cc2)c1)=C\C(C(O)=O)=O |
| InChI | InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)19-3-1-5-21(11-19)37-15-17-7-9-18(10-8-17)16-38-22-6-2-4-20(12-22)24(30)14-26(32)28(35)36/h1-14,29-30H,15-16H2,(H,33,34)(H,35,36) |
| InChIK | HMWPACMOQISDPS-UHFFFAOYSA-N |
| TotalMolweight | 518.473 |
| Molweight | 518.473 |
| MonoisotopicMass | 518.1213 |
| CLogP | 1.377 |
| CLogS | -3.974 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 386.12 |
| Relative PSA | 0.32259 |
| PolarSurfaceArea | 167.66 |
| Druglikeness | -6.7335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 20 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-[3-[[4-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid | 2 - (Z)-4-[3-[[4-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
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