6-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C17H16NO3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C17H16NO3F3S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/c2ccc(C(F)(F)F)cc2)=O)C1=S)=O |
| InChI | InChI=1S/C17H16F3NO3S2/c18-17(19,20)12-7-5-11(6-8-12)10-13-15(24)21(16(25)26-13)9-3-1-2-4-14(22)23/h5-8,10H,1-4,9H2,(H,22,23) |
| InChIK | LRMMXWZENHBDNJ-UHFFFAOYSA-N |
| TotalMolweight | 403.444 |
| Molweight | 403.444 |
| MonoisotopicMass | 403.052368 |
| CLogP | 3.193 |
| CLogS | -4.771 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.08 |
| Relative PSA | 0.30946 |
| PolarSurfaceArea | 115 |
| Druglikeness | -12.699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]hexanoic acid
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