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DocumentationIdentifier: MM139037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139037 |
| SMILES |
CC(F)(C#CC#N)CF
|
| InChIKey |
SRYIBMXDMRVMAS-UHFFFAOYSA-N
|
| MW [Da] |
129.11
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103220
Similarity: 0.7356
Similarity to MM103220
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311755
Similarity: 0.685
Similarity to MM311755
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8131 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114498
Similarity: 0.6782
Similarity to MM114498
| Tanimoto metric | 0.6782 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8082 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
