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DocumentationIdentifier: MM234414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234414 |
| SMILES |
C=CCC(F)(F)C#CCF
|
| InChIKey |
FEGIAVLBTHGZRN-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139008
Similarity: 0.7404
Similarity to MM139008
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234427
Similarity: 0.7177
Similarity to MM234427
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8357 |
| MW: | 141.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234413
Similarity: 0.7087
Similarity to MM234413
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8295 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
