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DocumentationIdentifier: MM361881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361881 |
| SMILES |
COC(C)C(O)CCCO
|
| InChIKey |
ZURSTBKXYFZOKR-UHFFFAOYSA-N
|
| MW [Da] |
148.2
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
MM300921
Similarity: 0.7245
Similarity to MM300921
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8402 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84461
Similarity: 0.6667
Similarity to MM84461
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8009 |
| Dice metric | 0.8 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362358
Similarity: 0.661
Similarity to MM362358
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7959 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
