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DocumentationIdentifier: MM281333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281333 |
| SMILES |
CC#CC(F)CC#CCC
|
| InChIKey |
VTDWUNIZHJXBME-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282734
Similarity: 0.9155
Similarity to MM282734
| Tanimoto metric | 0.9155 |
|---|---|
| Cosine metric | 0.956 |
| Dice metric | 0.9559 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359229
Similarity: 0.913
Similarity to MM359229
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9545 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158451
Similarity: 0.8841
Similarity to MM158451
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9385 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+633 more
