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DocumentationIdentifier: MM278813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278813 |
| SMILES |
C=CCC(=O)CCC=CC
|
| InChIKey |
ICALSLKKUQTEOL-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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MM167376
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| Tanimoto metric | 0.8955 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9449 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368817
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| Tanimoto metric | 0.8696 |
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| Cosine metric | 0.9309 |
| Dice metric | 0.9302 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156493
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Similarity to MM156493
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+689 more
