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DocumentationIdentifier: MM175068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175068 |
| SMILES |
CCC(O)C(C)=CCF
|
| InChIKey |
GOSAWPRCZWACFG-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.67
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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MM295843
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| Tanimoto metric | 0.8067 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.893 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM300277
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| Tanimoto metric | 0.7742 |
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| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM270283
Similarity: 0.7328
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| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+782 more
