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DocumentationIdentifier: MM142524
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142524 |
| SMILES |
C=C(CC)CC(=O)CC
|
| InChIKey |
AQEWUVMJFCNFIY-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263027
Similarity: 0.9114
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| Tanimoto metric | 0.9114 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9536 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.49 |
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Total active interactions
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MM263291
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Similarity to MM263291
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+629 more
