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DocumentationIdentifier: MM113257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113257 |
| SMILES |
N#CCOC(=O)CO
|
| InChIKey |
XWXTUFKMALEVCD-UHFFFAOYSA-N
|
| MW [Da] |
115.09
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45939
Similarity: 0.8169
Similarity to MM45939
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26403
Similarity: 0.7241
Similarity to MM26403
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97446
Similarity: 0.7069
Similarity to MM97446
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
