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DocumentationIdentifier: MM84525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84525 |
| SMILES |
N#CCCC(O)C(F)C#N
|
| InChIKey |
SSAWHFDDCBOZHG-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268372
Similarity: 0.7744
Similarity to MM268372
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8729 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261636
Similarity: 0.7236
Similarity to MM261636
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8396 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71708
Similarity: 0.6434
Similarity to MM71708
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.783 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
