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DocumentationIdentifier: MM174607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174607 |
| SMILES |
C#CC(F)C(C)C#CC
|
| InChIKey |
UEOZONZLHMYXPU-UHFFFAOYSA-N
|
| MW [Da] |
124.16
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295798
Similarity: 0.8901
Similarity to MM295798
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358093
Similarity: 0.8438
Similarity to MM358093
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174611
Similarity: 0.7978
Similarity to MM174611
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8875 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
