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DocumentationIdentifier: MM54888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54888 |
| SMILES |
CN(CC#N)C(=N)CC=O
|
| InChIKey |
DRTKPEQIMHDFQB-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87566
Similarity: 0.7815
Similarity to MM87566
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53949
Similarity: 0.7059
Similarity to MM53949
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293085
Similarity: 0.6866
Similarity to MM293085
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8142 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
