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DocumentationIdentifier: MM409461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409461 |
| SMILES |
C=COC(=C)C(C#N)NC
|
| InChIKey |
ZLYHWGHEWWNSKA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41425
Similarity: 0.8108
Similarity to MM41425
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408785
Similarity: 0.7052
Similarity to MM408785
| Tanimoto metric | 0.7052 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8271 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41138
Similarity: 0.6704
Similarity to MM41138
| Tanimoto metric | 0.6704 |
|---|---|
| Cosine metric | 0.8027 |
| Dice metric | 0.8027 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
