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DocumentationIdentifier: MM328297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328297 |
| SMILES |
C#CC(C#C)CC(F)CC
|
| InChIKey |
NWLMXONXYMLFOY-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141788
Similarity: 0.8861
Similarity to MM141788
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9413 |
| Dice metric | 0.9396 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149865
Similarity: 0.8228
Similarity to MM149865
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261818
Similarity: 0.7865
Similarity to MM261818
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8805 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
