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DocumentationIdentifier: MM297558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297558 |
| SMILES |
COC(C#N)C(O)C(C)O
|
| InChIKey |
OSMHENDQLSGDND-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348403
Similarity: 0.8601
Similarity to MM348403
| Tanimoto metric | 0.8601 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9248 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388025
Similarity: 0.75
Similarity to MM388025
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8571 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406759
Similarity: 0.726
Similarity to MM406759
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8413 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
