2-[2-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Formula:C18H18N2O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H18N2O7S |
| Smiles | OC(COc1c(/C=C(/C(N2CC(N3CCOCC3)=O)=O)\SC2=O)cccc1)=O |
| InChI | InChI=1S/C18H18N2O7S/c21-15(19-5-7-26-8-6-19)10-20-17(24)14(28-18(20)25)9-12-3-1-2-4-13(12)27-11-16(22)23/h1-4,9H,5-8,10-11H2,(H,22,23) |
| InChIK | BMNIWQPEZGTOOB-UHFFFAOYSA-N |
| TotalMolweight | 406.414 |
| Molweight | 406.414 |
| MonoisotopicMass | 406.083473 |
| CLogP | 0.1215 |
| CLogS | -2.052 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 288.97 |
| Relative PSA | 0.38014 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | 4.6111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
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