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DocumentationIdentifier: MM334491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334491 |
| SMILES |
C=CC(=O)OC(C#N)=CN
|
| InChIKey |
PSWKARJXXVWNSF-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44731
Similarity: 0.7698
Similarity to MM44731
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142843
Similarity: 0.7338
Similarity to MM142843
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264583
Similarity: 0.7161
Similarity to MM264583
| Tanimoto metric | 0.7161 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8346 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
