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DocumentationIdentifier: MM27013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27013 |
| SMILES |
N#CCNCC(F)(F)F
|
| InChIKey |
COWDLHURJMOZKJ-UHFFFAOYSA-N
|
| MW [Da] |
138.09
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34533
Similarity: 0.8214
Similarity to MM34533
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102727
Similarity: 0.75
Similarity to MM102727
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130367
Similarity: 0.6269
Similarity to MM130367
| Tanimoto metric | 0.6269 |
|---|---|
| Cosine metric | 0.7709 |
| Dice metric | 0.7706 |
| MW: | 141.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
