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DocumentationIdentifier: MM353615
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353615 |
| SMILES |
C=CC(C)C(=O)C(C)=CF
|
| InChIKey |
KRZHNMYOHFUSTI-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
MM299772
Similarity: 0.7417
Similarity to MM299772
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161453
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Similarity to MM161453
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161066
Similarity: 0.6985
Similarity to MM161066
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8225 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
