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DocumentationIdentifier: MM287889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287889 |
| SMILES |
CC(=O)NCCC#CC=O
|
| InChIKey |
NBBWUADOBCASQI-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153067
Similarity: 0.8701
Similarity to MM153067
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287842
Similarity: 0.7882
Similarity to MM287842
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8816 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214315
Similarity: 0.7792
Similarity to MM214315
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
