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DocumentationIdentifier: MM354613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354613 |
| SMILES |
CCC(=O)C(F)=C(C)CC
|
| InChIKey |
WXZPYQBNJQDOAB-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47790
Similarity: 0.7857
Similarity to MM47790
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301387
Similarity: 0.7806
Similarity to MM301387
| Tanimoto metric | 0.7806 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8768 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161612
Similarity: 0.7643
Similarity to MM161612
| Tanimoto metric | 0.7643 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
