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DocumentationIdentifier: MM282790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282790 |
| SMILES |
CCOC(=O)C#CCOC
|
| InChIKey |
QVGLQZSJENDCFJ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367880
Similarity: 0.878
Similarity to MM367880
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.9358 |
| Dice metric | 0.9351 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84035
Similarity: 0.8315
Similarity to MM84035
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.908 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49745
Similarity: 0.8
Similarity to MM49745
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
