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DocumentationIdentifier: MM196925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196925 |
| SMILES |
CCC(C)C(C=O)CC
|
| InChIKey |
FBQWJRWQCDONFI-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
MM179686
Similarity: 0.9091
Similarity to MM179686
| 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
|
MM400689
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| Tanimoto metric | 0.8793 |
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| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376434
Similarity: 0.8644
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| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
