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DocumentationIdentifier: MM62062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62062 |
| SMILES |
CCC(N)C(CO)OC
|
| InChIKey |
BFXSBAVVPJZZCE-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.27
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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MM406484
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| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM61923
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| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
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| AI: | 0
Total active interactions
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MM297440
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| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
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| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
