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DocumentationIdentifier: MM179686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179686 |
| SMILES |
CCCC(C=O)C(C)C
|
| InChIKey |
KBCJIUFFVMPKHR-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376434
Similarity: 0.9153
Similarity to MM376434
| Tanimoto metric | 0.9153 |
|---|---|
| Cosine metric | 0.9567 |
| Dice metric | 0.9558 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196925
Similarity: 0.9091
Similarity to MM196925
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9524 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172046
Similarity: 0.8621
Similarity to MM172046
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9259 |
| Dice metric | 0.9259 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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