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DocumentationIdentifier: MM152589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152589 |
| SMILES |
CC(C)NCCCC=O
|
| InChIKey |
MWXBJUKLKGGWEK-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.96
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 | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9075 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.58 |
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Total active interactions
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MM212978
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| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8842 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+605 more
