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DocumentationIdentifier: MM352361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352361 |
| SMILES |
C=CCCC(=O)C(=C)C=O
|
| InChIKey |
BWPMPKZOMMXEJB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
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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MM352365
Similarity: 0.7522
Similarity to MM352365
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8586 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162689
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Similarity to MM162689
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319955
Similarity: 0.7117
Similarity to MM319955
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8316 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
