3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
Formula:C15H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione is a drug-like molecule.
| MolName | 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione |
| MolecularFormula | C15H10N2O3S2 |
| Smiles | O=C(C(C1)C1C1=O)N1N(C(/C(/S1)=C/c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C15H10N2O3S2/c18-12-9-7-10(9)13(19)16(12)17-14(20)11(22-15(17)21)6-8-4-2-1-3-5-8/h1-6,9-10H,7H2 |
| InChIK | UQFVECUAHPNBRR-UHFFFAOYSA-N |
| TotalMolweight | 330.387 |
| Molweight | 330.387 |
| MonoisotopicMass | 330.013283 |
| CLogP | -0.6459 |
| CLogS | -3.513 |
| H Acceptors | 5 |
| TotalSurfaceArea | 220.28 |
| Relative PSA | 0.41633 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | 4.4778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione | 2 - 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
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