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DocumentationIdentifier: MM253504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253504 |
| SMILES |
CCCC(C)=CCC(C)=O
|
| InChIKey |
YUZBIYHLOBHGGG-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146610
Similarity: 0.8889
Similarity to MM146610
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM346891
Similarity: 0.8462
Similarity to MM346891
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9167 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM324989
Similarity: 0.8293
Similarity to MM324989
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.9067 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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