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DocumentationIdentifier: MM268171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268171 |
| SMILES |
CC=C(F)C=C(C)CC#N
|
| InChIKey |
RTMNSFKORGTPKA-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136489
Similarity: 0.7982
Similarity to MM136489
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143889
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Similarity to MM143889
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267080
Similarity: 0.7069
Similarity to MM267080
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8283 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
