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DocumentationIdentifier: MM201771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201771 |
| SMILES |
C=COC=C(C#N)CC
|
| InChIKey |
APVYHZZNGQEYLX-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.96
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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| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9117 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.45 |
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Total active interactions
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MM404746
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| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
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| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
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