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DocumentationIdentifier: MM301452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301452 |
| SMILES |
CCCOCC(C)C(C)=O
|
| InChIKey |
KZGQWMQHPSKEPO-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162163
Similarity: 0.9294
Similarity to MM162163
| Tanimoto metric | 0.9294 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9634 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301764
Similarity: 0.8526
Similarity to MM301764
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9205 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301454
Similarity: 0.8061
Similarity to MM301454
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8927 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
