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DocumentationIdentifier: MM179254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179254 |
| SMILES |
C=CC=C(C#N)NC=O
|
| InChIKey |
DYZVPKLPCDMKDZ-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38119
Similarity: 0.7935
Similarity to MM38119
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273849
Similarity: 0.697
Similarity to MM273849
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51991
Similarity: 0.6697
Similarity to MM51991
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.8022 |
| Dice metric | 0.8022 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
