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DocumentationIdentifier: MM52787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52787 |
| SMILES |
NC(=O)C(C=O)=CC=O
|
| InChIKey |
XKKUWYBEGZIZKU-UHFFFAOYSA-N
|
| MW [Da] |
127.1
Automatically obtained from RDkit software. |
| LogP |
-1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298573
Similarity: 0.7556
Similarity to MM298573
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292281
Similarity: 0.7222
Similarity to MM292281
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8387 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86927
Similarity: 0.6818
Similarity to MM86927
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
