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DocumentationIdentifier: MM364495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364495 |
| SMILES |
CCCNCCC(=O)CC
|
| InChIKey |
BNZKFNVLQOFLJX-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.36
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 | 0.9692 |
|---|---|
| Cosine metric | 0.9845 |
| Dice metric | 0.9844 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8289 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
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Total active interactions
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MM291735
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| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8963 |
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| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
