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DocumentationIdentifier: MM444639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444639 |
| SMILES |
CCCC(O)C(C)C
|
| InChIKey |
RGRUUTLDBCWYBL-UHFFFAOYSA-N
|
| MW [Da] |
116.2
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM409684
Similarity: 0.8462
Similarity to MM409684
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161937
Similarity: 0.7857
Similarity to MM161937
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
