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DocumentationIdentifier: MM162612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162612 |
| SMILES |
C=C(CCNC)C(N)=O
|
| InChIKey |
NRWJZFILFNZLKR-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302629
Similarity: 0.8785
Similarity to MM302629
| Tanimoto metric | 0.8785 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9353 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255196
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| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351702
Similarity: 0.8034
Similarity to MM351702
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
