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DocumentationIdentifier: MM142783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142783 |
| SMILES |
C#CC(=O)CC(N)=NC
|
| InChIKey |
MXSMUGXRUVJXNC-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263776
Similarity: 0.824
Similarity to MM263776
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9035 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104672
Similarity: 0.7379
Similarity to MM104672
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87000
Similarity: 0.7357
Similarity to MM87000
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
