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DocumentationIdentifier: MM408042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408042 |
| SMILES |
CCC#CCC(CC)CF
|
| InChIKey |
GCMOYNISMXUOAD-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199692
Similarity: 0.9394
Similarity to MM199692
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388465
Similarity: 0.8611
Similarity to MM388465
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.9255 |
| Dice metric | 0.9254 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408053
Similarity: 0.84
Similarity to MM408053
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.913 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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