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DocumentationIdentifier: MM170624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170624 |
| SMILES |
CCCC#CC(=N)NC
|
| InChIKey |
IKZAILFDKLPVIN-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM367991
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Similarity to MM367991
| Tanimoto metric | 0.9157 |
|---|---|
| Cosine metric | 0.9569 |
| Dice metric | 0.956 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8941 |
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| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367835
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| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
