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DocumentationIdentifier: MM87000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87000 |
| SMILES |
C#CC(=O)CC(=NC)NC
|
| InChIKey |
BYCGFJBVYUCARY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142783
Similarity: 0.7357
Similarity to MM142783
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263776
Similarity: 0.6563
Similarity to MM263776
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7925 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273054
Similarity: 0.6524
Similarity to MM273054
| Tanimoto metric | 0.6524 |
|---|---|
| Cosine metric | 0.7901 |
| Dice metric | 0.7897 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+24 more
