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DocumentationIdentifier: MM295036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295036 |
| SMILES |
CCNCC=C(C)C(N)=O
|
| InChIKey |
REHNQUYDPUYFSJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163884
Similarity: 0.899
Similarity to MM163884
| Tanimoto metric | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9468 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66508
Similarity: 0.7236
Similarity to MM66508
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8415 |
| Dice metric | 0.8396 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301403
Similarity: 0.712
Similarity to MM301403
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8318 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
