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DocumentationIdentifier: MM171967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171967 |
| SMILES |
CCC(O)C(C)NC=O
|
| InChIKey |
OUACOJMVXLWIQB-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.11
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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MM292726
Similarity: 0.7823
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| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.6 |
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MM108120
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| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
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| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
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+366 more
