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DocumentationIdentifier: MM350016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350016 |
| SMILES |
C#CC(=N)N(C)C(C)C#C
|
| InChIKey |
BWOREWGBKVJYGU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94809
Similarity: 0.75
Similarity to MM94809
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM225697
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Similarity to MM225697
| Tanimoto metric | 0.6601 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7953 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142513
Similarity: 0.6532
Similarity to MM142513
| Tanimoto metric | 0.6532 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.7902 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
