(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H20N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H20N2O4S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)N(CCCN2CCOCC2)C1=S |
| InChI | InChI=1S/C18H20N2O4S2/c21-17-16(11-13-2-3-14-15(10-13)24-12-23-14)26-18(25)20(17)5-1-4-19-6-8-22-9-7-19/h2-3,10-11H,1,4-9,12H2 |
| InChIK | SVIYIUWJLMUZJV-UHFFFAOYSA-N |
| TotalMolweight | 392.499 |
| Molweight | 392.499 |
| MonoisotopicMass | 392.086448 |
| CLogP | 1.6317 |
| CLogS | -3.609 |
| H Acceptors | 6 |
| TotalSurfaceArea | 286.1 |
| Relative PSA | 0.33425 |
| PolarSurfaceArea | 108.63 |
| Druglikeness | 4.3179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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