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DocumentationIdentifier: MM320536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320536 |
| SMILES |
C=C(CC)COC(C)=CF
|
| InChIKey |
FRJSTVSYIHJFQN-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.8
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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MM145354
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| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7339 |
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| Cosine metric | 0.8567 |
| Dice metric | 0.8466 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
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MM342758
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Similarity to MM342758
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8219 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
