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DocumentationIdentifier: MM388334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388334 |
| SMILES |
C#CC(C(C)C)C(F)C#N
|
| InChIKey |
SEEKPVATEGEORL-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377175
Similarity: 0.6735
Similarity to MM377175
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.8049 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180982
Similarity: 0.664
Similarity to MM180982
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.7981 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160017
Similarity: 0.656
Similarity to MM160017
| Tanimoto metric | 0.656 |
|---|---|
| Cosine metric | 0.8099 |
| Dice metric | 0.7923 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
