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DocumentationIdentifier: MM304409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304409 |
| SMILES |
C=CC=C(CC#N)NC=O
|
| InChIKey |
OEMORXBPRRUIBK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51537
Similarity: 0.8
Similarity to MM51537
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75371
Similarity: 0.6906
Similarity to MM75371
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8172 |
| Dice metric | 0.817 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75369
Similarity: 0.6531
Similarity to MM75369
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7901 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
