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DocumentationIdentifier: MM24631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24631 |
| SMILES |
CN(C=O)CC=CC=O
|
| InChIKey |
AXPPRBXGDAUAMI-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24858
Similarity: 0.7927
Similarity to MM24858
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24605
Similarity: 0.7846
Similarity to MM24605
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372794
Similarity: 0.6892
Similarity to MM372794
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.816 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
