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DocumentationIdentifier: MM307959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307959 |
| SMILES |
CCC(O)(CC)CCC=O
|
| InChIKey |
VIWMUQILZSPBOK-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.52
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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MM138200
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| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM235055
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| Tanimoto metric | 0.7245 |
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| Cosine metric | 0.8436 |
| Dice metric | 0.8402 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.37 |
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| AI: | 0
Total active interactions
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MM226138
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Similarity to MM226138
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8276 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
