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DocumentationIdentifier: MM159538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159538 |
| SMILES |
CCCC=C(C)CC=O
|
| InChIKey |
XUHXTYLHEQONJV-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 |
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MM284800
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| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM284723
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| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.71 |
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MM107869
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| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9174 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+721 more
