(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H16N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H16N2O3S2 |
| Smiles | Oc1ccc(/C=C(/C(N2CN3CCOCC3)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C15H16N2O3S2/c18-12-3-1-11(2-4-12)9-13-14(19)17(15(21)22-13)10-16-5-7-20-8-6-16/h1-4,9,18H,5-8,10H2 |
| InChIK | IYJKAHPKBLWEKT-UHFFFAOYSA-N |
| TotalMolweight | 336.435 |
| Molweight | 336.435 |
| MonoisotopicMass | 336.060233 |
| CLogP | 0.7396 |
| CLogS | -2.861 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.67 |
| Relative PSA | 0.36265 |
| PolarSurfaceArea | 110.4 |
| Druglikeness | 3.6147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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