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DocumentationIdentifier: MM46877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46877 |
| SMILES |
C#CC(C#N)(C#N)C(=N)N
|
| InChIKey |
VTKVSDKGZUTGBT-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34636
Similarity: 0.6545
Similarity to MM34636
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.7912 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56982
Similarity: 0.6406
Similarity to MM56982
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.781 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33940
Similarity: 0.5096
Similarity to MM33940
| Tanimoto metric | 0.5096 |
|---|---|
| Cosine metric | 0.6761 |
| Dice metric | 0.6751 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+11 more
