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DocumentationIdentifier: MM179723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179723 |
| SMILES |
CCCN(C=O)C(C)C
|
| InChIKey |
GZIQVZTXWMBKFW-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.26
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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MM274995
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Similarity to MM274995
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM392610
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| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116037
Similarity: 0.7246
Similarity to MM116037
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
