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DocumentationIdentifier: MM279694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279694 |
| SMILES |
CC#CCOC(=O)C#CC
|
| InChIKey |
VAVCXSFPUBKOGL-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157580
Similarity: 0.9467
Similarity to MM157580
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167733
Similarity: 0.8933
Similarity to MM167733
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371268
Similarity: 0.8415
Similarity to MM371268
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9139 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
