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DocumentationIdentifier: MM444907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444907 |
| SMILES |
CC(=O)CCN(C)C(C)=O
|
| InChIKey |
HLSMAFGRKYSTFU-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM445091
Similarity: 0.8018
Similarity to MM445091
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.89 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7477 |
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| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM342798
Similarity: 0.7477
Similarity to MM342798
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
