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DocumentationIdentifier: MM158459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158459 |
| SMILES |
C#CCC(F)C#CC=C
|
| InChIKey |
YFTKRXGNASKJBA-UHFFFAOYSA-N
|
| MW [Da] |
122.14
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359245
Similarity: 0.9241
Similarity to MM359245
| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283001
Similarity: 0.8391
Similarity to MM283001
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114493
Similarity: 0.8082
Similarity to MM114493
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
