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DocumentationIdentifier: MM146654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146654 |
| SMILES |
C=C(C)OC=C(C)CC
|
| InChIKey |
WEQMOCJVMBNHII-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.85
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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MM347006
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| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8161 |
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| Cosine metric | 0.9034 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.24 |
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MM325177
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|---|---|
| Cosine metric | 0.8982 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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