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DocumentationIdentifier: MM66277
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66277 |
| SMILES |
C#CC(=O)OCCNCC
|
| InChIKey |
DRKJVNLADDZJSR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64720
Similarity: 0.8889
Similarity to MM64720
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54463
Similarity: 0.7921
Similarity to MM54463
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.884 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64742
Similarity: 0.7407
Similarity to MM64742
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8511 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
