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DocumentationIdentifier: MM258280
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258280 |
| SMILES |
C=CC(=O)NCCN(C)C
|
| InChIKey |
WDQKICIMIPUDBL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113325
Similarity: 0.7375
Similarity to MM113325
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM67725
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Similarity to MM67725
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8344 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM257888
Similarity: 0.6444
Similarity to MM257888
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7838 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
