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DocumentationIdentifier: MM388900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388900 |
| SMILES |
C=CCCC(C=O)C=CF
|
| InChIKey |
HTUDABWSPAAHDZ-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178217
Similarity: 0.8764
Similarity to MM178217
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405178
Similarity: 0.828
Similarity to MM405178
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9069 |
| Dice metric | 0.9059 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272700
Similarity: 0.798
Similarity to MM272700
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8876 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
