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DocumentationIdentifier: MM73033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73033 |
| SMILES |
CCCOCC(O)C(C)O
|
| InChIKey |
RVZFSKJSVXYOOV-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
MM301031
Similarity: 0.9268
Similarity to MM301031
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.962 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361941
Similarity: 0.8837
Similarity to MM361941
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9394 |
| Dice metric | 0.9383 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254516
Similarity: 0.8132
Similarity to MM254516
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.897 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
