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DocumentationIdentifier: MM372004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372004 |
| SMILES |
CC(=CF)COC=CC=O
|
| InChIKey |
NEFKBFFNYSFWBI-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167953
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Similarity to MM167953
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153338
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| Tanimoto metric | 0.7582 |
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| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372063
Similarity: 0.7009
Similarity to MM372063
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8242 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
