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DocumentationIdentifier: MM275017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275017 |
| SMILES |
CCC(CC(=O)O)C(C)C
|
| InChIKey |
JOTRMYCCALXLNJ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133532
Similarity: 0.9103
Similarity to MM133532
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149890
Similarity: 0.7821
Similarity to MM149890
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222077
Similarity: 0.7245
Similarity to MM222077
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8402 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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