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DocumentationIdentifier: MM416565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416565 |
| SMILES |
C=CCC(=O)C(=CF)CC
|
| InChIKey |
CCYYSJNGIHSKAK-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198033
Similarity: 0.7769
Similarity to MM198033
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416074
Similarity: 0.7206
Similarity to MM416074
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8376 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353881
Similarity: 0.7197
Similarity to MM353881
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.837 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
