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DocumentationIdentifier: MM404294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404294 |
| SMILES |
N#CC(C#N)CNCC=O
|
| InChIKey |
ZDWWZZJKXHXZAV-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97904
Similarity: 0.7887
Similarity to MM97904
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28057
Similarity: 0.7143
Similarity to MM28057
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8333 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43997
Similarity: 0.6829
Similarity to MM43997
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8116 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
