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DocumentationIdentifier: MM302026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302026 |
| SMILES |
COCCCC(=O)C(C)O
|
| InChIKey |
VAXOOKDHZNHWRE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316452
Similarity: 0.7222
Similarity to MM316452
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8387 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34507
Similarity: 0.663
Similarity to MM34507
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7974 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166340
Similarity: 0.663
Similarity to MM166340
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7974 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
