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DocumentationIdentifier: MM295314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295314 |
| SMILES |
CC(=O)C(C)=CCC=CF
|
| InChIKey |
SWHGAPYBVCFKGE-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
MM163905
Similarity: 0.8316
Similarity to MM163905
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404679
Similarity: 0.7745
Similarity to MM404679
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8729 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295312
Similarity: 0.767
Similarity to MM295312
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8681 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
