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DocumentationIdentifier: MM221688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221688 |
| SMILES |
COCC(C)(C)CC(C)O
|
| InChIKey |
WOKMUARULMFXHX-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226053
Similarity: 0.7476
Similarity to MM226053
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130575
Similarity: 0.7333
Similarity to MM130575
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225910
Similarity: 0.6476
Similarity to MM225910
| Tanimoto metric | 0.6476 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7861 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
