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DocumentationIdentifier: MM85091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85091 |
| SMILES |
C#CCCC(=O)C(O)C#N
|
| InChIKey |
OKGIQROFDMKPBS-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351107
Similarity: 0.7154
Similarity to MM351107
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8341 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350769
Similarity: 0.694
Similarity to MM350769
| Tanimoto metric | 0.694 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8194 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351105
Similarity: 0.6838
Similarity to MM351105
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.8122 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
