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DocumentationIdentifier: MM198786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198786 |
| SMILES |
CCC(C#N)CCCO
|
| InChIKey |
NCKHNSZFZZXDRU-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.31
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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MM386685
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8108 |
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| Cosine metric | 0.9005 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
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Total active interactions
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MM402836
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| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+513 more
