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DocumentationIdentifier: MM79991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79991 |
| SMILES |
C=C(C)C#CC(=N)N
|
| InChIKey |
KUDCDUDDBGTWRW-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146219
Similarity: 0.8
Similarity to MM146219
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146148
Similarity: 0.764
Similarity to MM146148
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77946
Similarity: 0.7391
Similarity to MM77946
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
