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DocumentationIdentifier: MM279688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279688 |
| SMILES |
CC#CCCC(F)C#CC
|
| InChIKey |
HKCDPGRSVVPSGO-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
MM157531
Similarity: 0.942
Similarity to MM157531
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167684
Similarity: 0.8841
Similarity to MM167684
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9385 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358559
Similarity: 0.8667
Similarity to MM358559
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9286 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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