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DocumentationIdentifier: MM66667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66667 |
| SMILES |
C#CC=CN(C)C(=N)C#C
|
| InChIKey |
MGMQSTFCOSZOSA-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163344
Similarity: 0.7759
Similarity to MM163344
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295739
Similarity: 0.7353
Similarity to MM295739
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8475 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356552
Similarity: 0.7299
Similarity to MM356552
| Tanimoto metric | 0.7299 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8439 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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