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DocumentationIdentifier: MM297284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297284 |
| SMILES |
CC(C=CC(N)=O)OC=O
|
| InChIKey |
AGLKUDHPYAWOKE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72212
Similarity: 0.6964
Similarity to MM72212
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313593
Similarity: 0.6739
Similarity to MM313593
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8052 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265021
Similarity: 0.6161
Similarity to MM265021
| Tanimoto metric | 0.6161 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7624 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
