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DocumentationIdentifier: MM67511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67511 |
| SMILES |
CC(=O)OC(C=O)=CC#N
|
| InChIKey |
BYHNXXKNFAKRAW-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52006
Similarity: 0.7218
Similarity to MM52006
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 125.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276305
Similarity: 0.646
Similarity to MM276305
| Tanimoto metric | 0.646 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7849 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80726
Similarity: 0.6442
Similarity to MM80726
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7836 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
