2-[2-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Formula:C18H19NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C18H19NO4S2 |
| Smiles | OC(COc1c(/C=C(/C(N2C3CCCCC3)=O)\SC2=S)cccc1)=O |
| InChI | InChI=1S/C18H19NO4S2/c20-16(21)11-23-14-9-5-4-6-12(14)10-15-17(22)19(18(24)25-15)13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8,11H2,(H,20,21) |
| InChIK | APOFKFUVKPVNIL-UHFFFAOYSA-N |
| TotalMolweight | 377.484 |
| Molweight | 377.484 |
| MonoisotopicMass | 377.075549 |
| CLogP | 2.0128 |
| CLogS | -4.505 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.38 |
| Relative PSA | 0.35283 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | -1.7961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
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