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DocumentationIdentifier: MM388765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388765 |
| SMILES |
C=CN(C(C)=O)C(C)CN
|
| InChIKey |
BOWZVPPTCXIKMQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63437
Similarity: 0.6809
Similarity to MM63437
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8101 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52894
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| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179976
Similarity: 0.6667
Similarity to MM179976
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
