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DocumentationIdentifier: MM137661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137661 |
| SMILES |
CC(C)(C#N)C(F)C#N
|
| InChIKey |
GKBUVFXFJCKYSC-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76705
Similarity: 0.8438
Similarity to MM76705
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103280
Similarity: 0.7407
Similarity to MM103280
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16583
Similarity: 0.6667
Similarity to MM16583
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
