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DocumentationIdentifier: MM107794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107794 |
| SMILES |
CCCC(C)=COC
|
| InChIKey |
BSLYVAWMKREDDX-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
2.34
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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MM159509
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| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM159467
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| Tanimoto metric | 0.7761 |
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| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.73 |
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Total active interactions
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MM158771
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| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
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| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+830 more
