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DocumentationIdentifier: MM386739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386739 |
| SMILES |
CCCC(C=O)COCC
|
| InChIKey |
NBXAIUYPIHJUGI-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.64
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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MM177945
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| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198832
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| Tanimoto metric | 0.7978 |
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| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402969
Similarity: 0.7849
Similarity to MM402969
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8795 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
