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DocumentationIdentifier: MM96027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96027 |
| SMILES |
C=CC(O)C(=CCO)CF
|
| InChIKey |
OIAWRHPJRZNBJG-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM52597
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Similarity to MM52597
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8487 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307425
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| Tanimoto metric | 0.6168 |
|---|---|
| Cosine metric | 0.763 |
| Dice metric | 0.763 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM296703
Similarity: 0.5921
Similarity to MM296703
| Tanimoto metric | 0.5921 |
|---|---|
| Cosine metric | 0.7504 |
| Dice metric | 0.7438 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
