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DocumentationIdentifier: MM265990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265990 |
| SMILES |
CC(=CC=O)NC(=O)CO
|
| InChIKey |
XKDHSHNWXAPGGM-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43366
Similarity: 0.8254
Similarity to MM43366
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265864
Similarity: 0.7397
Similarity to MM265864
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8504 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65700
Similarity: 0.7075
Similarity to MM65700
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8287 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
