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DocumentationIdentifier: MM387431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387431 |
| SMILES |
N#CCN(C=N)CCC=O
|
| InChIKey |
BXNWNYVKFIRZOF-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
MM68206
Similarity: 0.7826
Similarity to MM68206
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63066
Similarity: 0.6857
Similarity to MM63066
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8136 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63660
Similarity: 0.6372
Similarity to MM63660
| Tanimoto metric | 0.6372 |
|---|---|
| Cosine metric | 0.7784 |
| Dice metric | 0.7784 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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