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DocumentationIdentifier: MM105886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105886 |
| SMILES |
CN=CNCC(N)=O
|
| InChIKey |
NARHCHHSIATLJB-UHFFFAOYSA-N
|
| MW [Da] |
115.14
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97411
Similarity: 0.7719
Similarity to MM97411
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145338
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Similarity to MM145338
| Tanimoto metric | 0.6264 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7703 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162872
Similarity: 0.6196
Similarity to MM162872
| Tanimoto metric | 0.6196 |
|---|---|
| Cosine metric | 0.7871 |
| Dice metric | 0.7651 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
