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DocumentationIdentifier: MM70908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70908 |
| SMILES |
O=C(C=CC=CF)CCO
|
| InChIKey |
WSOJIQWEZNJHHD-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.98
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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MM46714
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| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170192
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| Tanimoto metric | 0.7766 |
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| Cosine metric | 0.8812 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282164
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| Cosine metric | 0.8315 |
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| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.17 |
||||
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Total active interactions
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+414 more
