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DocumentationIdentifier: MM131028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131028 |
| SMILES |
CC(F)(F)C(C)(C)C#N
|
| InChIKey |
RAMMLEOXAYCNRH-UHFFFAOYSA-N
|
| MW [Da] |
133.14
Automatically obtained from RDkit software. |
| LogP |
2.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103280
Similarity: 0.6897
Similarity to MM103280
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01829
Similarity: 0.6566
Similarity to MM01829
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7927 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229842
Similarity: 0.635
Similarity to MM229842
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7768 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
