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DocumentationIdentifier: MM328407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328407 |
| SMILES |
CCC(CO)CC(=O)CO
|
| InChIKey |
QUEMVDJJIMIHSH-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244892
Similarity: 0.7672
Similarity to MM244892
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8683 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328405
Similarity: 0.7477
Similarity to MM328405
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8556 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328401
Similarity: 0.703
Similarity to MM328401
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8256 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
