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DocumentationIdentifier: MM258692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258692 |
| SMILES |
C#CC(=O)CCCC(=N)N
|
| InChIKey |
LYIQMAHLGQGQOE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133080
Similarity: 0.75
Similarity to MM133080
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258324
Similarity: 0.6186
Similarity to MM258324
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7644 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365954
Similarity: 0.6147
Similarity to MM365954
| Tanimoto metric | 0.6147 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7614 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
