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DocumentationIdentifier: MM322254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322254 |
| SMILES |
O=C(C=CC(=O)CO)CO
|
| InChIKey |
QMOZMIKPJAZVHV-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37025
Similarity: 0.8235
Similarity to MM37025
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114290
Similarity: 0.8088
Similarity to MM114290
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63161
Similarity: 0.7701
Similarity to MM63161
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8701 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
