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DocumentationIdentifier: MM58949
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58949 |
| SMILES |
COCCC(C)(O)COC
|
| InChIKey |
RVCSHTJUOXUXFI-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132344
Similarity: 0.9011
Similarity to MM132344
| Tanimoto metric | 0.9011 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.948 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41800
Similarity: 0.8352
Similarity to MM41800
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242973
Similarity: 0.7636
Similarity to MM242973
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.866 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+467 more
