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DocumentationIdentifier: MM243199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243199 |
| SMILES |
C=CCC(O)(C=O)CC=O
|
| InChIKey |
KJLYZRWAFZXWLK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243198
Similarity: 0.7188
Similarity to MM243198
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8364 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40386
Similarity: 0.7049
Similarity to MM40386
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243079
Similarity: 0.6744
Similarity to MM243079
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8056 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
