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DocumentationIdentifier: MM381021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381021 |
| SMILES |
CCN(C)C(CC=O)=NC
|
| InChIKey |
WSODTWLYRFAGFD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306198
Similarity: 0.6993
Similarity to MM306198
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.823 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293085
Similarity: 0.6434
Similarity to MM293085
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.783 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376543
Similarity: 0.62
Similarity to MM376543
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7665 |
| Dice metric | 0.7654 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
