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DocumentationIdentifier: MM390144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390144 |
| SMILES |
C#CC(=O)C(C#C)C(=N)N
|
| InChIKey |
ICTATTNGKITRDM-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72557
Similarity: 0.6368
Similarity to MM72557
| Tanimoto metric | 0.6368 |
|---|---|
| Cosine metric | 0.7782 |
| Dice metric | 0.7781 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300079
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Similarity to MM300079
| Tanimoto metric | 0.6368 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7781 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234930
Similarity: 0.6224
Similarity to MM234930
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.7674 |
| Dice metric | 0.7673 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
