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DocumentationIdentifier: MM302629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302629 |
| SMILES |
C=C(CCNCC)C(N)=O
|
| InChIKey |
IVVQAINIMKJAQL-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
MM162612
Similarity: 0.8785
Similarity to MM162612
| Tanimoto metric | 0.8785 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9353 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255196
Similarity: 0.7769
Similarity to MM255196
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8744 |
| Dice metric | 0.8744 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351702
Similarity: 0.7231
Similarity to MM351702
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8393 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
