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DocumentationIdentifier: MM156372
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156372 |
| SMILES |
C=C(CC=O)CCCC
|
| InChIKey |
HVMMRMUADDRFPW-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 |
Similar entries
MM292252
Similarity: 0.9355
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| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292037
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| Tanimoto metric | 0.9063 |
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| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292250
Similarity: 0.8923
Similarity to MM292250
| Tanimoto metric | 0.8923 |
|---|---|
| Cosine metric | 0.9446 |
| Dice metric | 0.9431 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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