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DocumentationIdentifier: MM360338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360338 |
| SMILES |
CC(=CCC#N)C(O)C#N
|
| InChIKey |
ZSXNUQRQUOVGIH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175266
Similarity: 0.9143
Similarity to MM175266
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270325
Similarity: 0.808
Similarity to MM270325
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8938 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360181
Similarity: 0.7934
Similarity to MM360181
| Tanimoto metric | 0.7934 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8848 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
