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DocumentationIdentifier: MM174623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174623 |
| SMILES |
CC#CC(O)C(=O)CC
|
| InChIKey |
UECYECZLDSOFBY-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358165
Similarity: 0.8938
Similarity to MM358165
| Tanimoto metric | 0.8938 |
|---|---|
| Cosine metric | 0.9454 |
| Dice metric | 0.9439 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295478
Similarity: 0.8632
Similarity to MM295478
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358167
Similarity: 0.8559
Similarity to MM358167
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
