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DocumentationIdentifier: MM376929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376929 |
| SMILES |
C#CC(C)C(C=O)CCF
|
| InChIKey |
LBXRLXMHRDIVAD-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400729
Similarity: 0.7563
Similarity to MM400729
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8612 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178016
Similarity: 0.732
Similarity to MM178016
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377169
Similarity: 0.7257
Similarity to MM377169
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.841 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
