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DocumentationIdentifier: MM369217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369217 |
| SMILES |
C#CC(F)C#CC#CCC
|
| InChIKey |
MCJTVTOSXITNIO-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369223
Similarity: 0.9365
Similarity to MM369223
| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9672 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170870
Similarity: 0.9344
Similarity to MM170870
| Tanimoto metric | 0.9344 |
|---|---|
| Cosine metric | 0.9667 |
| Dice metric | 0.9661 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283328
Similarity: 0.9048
Similarity to MM283328
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.95 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
