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DocumentationIdentifier: MM413935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413935 |
| SMILES |
C#CC(C#C)C(=O)C#CC
|
| InChIKey |
WAKLZWNMYILDMO-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359165
Similarity: 0.7941
Similarity to MM359165
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295808
Similarity: 0.7941
Similarity to MM295808
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359193
Similarity: 0.7788
Similarity to MM359193
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8757 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
