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DocumentationIdentifier: MM67738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67738 |
| SMILES |
C#CC(=CC(C)O)OC=O
|
| InChIKey |
HZFBMURFAZTQEL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52055
Similarity: 0.7037
Similarity to MM52055
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136421
Similarity: 0.6889
Similarity to MM136421
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221434
Similarity: 0.6038
Similarity to MM221434
| Tanimoto metric | 0.6038 |
|---|---|
| Cosine metric | 0.7542 |
| Dice metric | 0.7529 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
