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DocumentationIdentifier: MM304206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304206 |
| SMILES |
COCC(=CC=O)NC=O
|
| InChIKey |
NMHXJZPNOUVTPA-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179022
Similarity: 0.7823
Similarity to MM179022
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178543
Similarity: 0.7742
Similarity to MM178543
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304089
Similarity: 0.6621
Similarity to MM304089
| Tanimoto metric | 0.6621 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7967 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
