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DocumentationIdentifier: MM251183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251183 |
| SMILES |
C=CCC(=C)CCC(C)=O
|
| InChIKey |
GXYFNAWBNLVYMN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM144798
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| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251033
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| Cosine metric | 0.889 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
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MM318624
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Similarity to MM318624
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8625 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+584 more
