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DocumentationIdentifier: MM92998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92998 |
| SMILES |
CCOCC#CC(=N)NC
|
| InChIKey |
MMURHMORDGXABA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92902
Similarity: 0.8901
Similarity to MM92902
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92807
Similarity: 0.757
Similarity to MM92807
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8617 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282870
Similarity: 0.7364
Similarity to MM282870
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8482 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
