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DocumentationIdentifier: MM168467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168467 |
| SMILES |
COC=CCC(=O)CO
|
| InChIKey |
WLSFAOSNEFVJOW-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.1
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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MM373535
Similarity: 0.8523
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| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153638
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| Tanimoto metric | 0.6395 |
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| Cosine metric | 0.7817 |
| Dice metric | 0.7801 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288480
Similarity: 0.6333
Similarity to MM288480
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7755 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
