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DocumentationIdentifier: MM89093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89093 |
| SMILES |
C#CC(=N)N
|
| InChIKey |
XJWHSATWBUVHPQ-UHFFFAOYSA-N
|
| MW [Da] |
68.08
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87238
Similarity: 0.75
Similarity to MM87238
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 82.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92424
Similarity: 0.6486
Similarity to MM92424
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7869 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64939
Similarity: 0.5854
Similarity to MM64939
| Tanimoto metric | 0.5854 |
|---|---|
| Cosine metric | 0.7651 |
| Dice metric | 0.7385 |
| MW: | 92.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
