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DocumentationIdentifier: MM260461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260461 |
| SMILES |
CC(F)=CCCC(F)C#N
|
| InChIKey |
DWMLGOPTZRRRMI-UHFFFAOYSA-N
|
| MW [Da] |
145.15
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167258
Similarity: 0.75
Similarity to MM167258
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167257
Similarity: 0.7292
Similarity to MM167257
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368179
Similarity: 0.7
Similarity to MM368179
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8235 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
