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DocumentationIdentifier: MM371866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371866 |
| SMILES |
C=CC(F)=CC#CCCC
|
| InChIKey |
UTDWPBVRGWKPGD-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171673
Similarity: 0.8621
Similarity to MM171673
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371908
Similarity: 0.7895
Similarity to MM371908
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8824 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371927
Similarity: 0.7732
Similarity to MM371927
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8721 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+857 more
