(5Z)-5-[[9-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,10-phenanthrolin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H10N4O2S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[9-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,10-phenanthrolin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[9-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,10-phenanthrolin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H10N4O2S4 |
| Smiles | O=C(/C(/S1)=C/c2nc3c4nc(/C=C(/C(N5)=O)\SC5=S)ccc4ccc3cc2)NC1=S |
| InChI | InChI=1S/C20H10N4O2S4/c25-17-13(29-19(27)23-17)7-11-5-3-9-1-2-10-4-6-12(22-16(10)15(9)21-11)8-14-18(26)24-20(28)30-14/h1-8H,(H,23,25,27)(H,24,26,28) |
| InChIK | QWKRISTZMDUFJG-UHFFFAOYSA-N |
| TotalMolweight | 466.589 |
| Molweight | 466.589 |
| MonoisotopicMass | 465.968656 |
| CLogP | 1.3688 |
| CLogS | -6.844 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.22 |
| Relative PSA | 0.50408 |
| PolarSurfaceArea | 198.76 |
| Druglikeness | 2.3511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Symmetricatoms | 15 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[9-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,10-phenanthrolin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[9-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,10-phenanthrolin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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