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DocumentationIdentifier: MM328405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328405 |
| SMILES |
CCC(=O)CC(CC)CO
|
| InChIKey |
ZKZYNPIVYHBKDS-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42837
Similarity: 0.7717
Similarity to MM42837
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328407
Similarity: 0.7477
Similarity to MM328407
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8556 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338676
Similarity: 0.7157
Similarity to MM338676
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8343 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
