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DocumentationIdentifier: MM276311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276311 |
| SMILES |
CC(=O)OC(C#N)=C(N)N
|
| InChIKey |
MQIFRZPJUVKTCW-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44731
Similarity: 0.7926
Similarity to MM44731
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52852
Similarity: 0.7259
Similarity to MM52852
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67473
Similarity: 0.6605
Similarity to MM67473
| Tanimoto metric | 0.6605 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7955 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
