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DocumentationIdentifier: MM26805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26805 |
| SMILES |
C#CC(C#C)C(=O)CNC
|
| InChIKey |
MCUSUBZHALFNJH-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34417
Similarity: 0.8868
Similarity to MM34417
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40047
Similarity: 0.7769
Similarity to MM40047
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8744 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35073
Similarity: 0.7231
Similarity to MM35073
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8393 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
