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DocumentationIdentifier: MM310004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM310004 |
| SMILES |
CC=CCC(O)(C=O)CC
|
| InChIKey |
JAUZDPYGJBWHRR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235336
Similarity: 0.7887
Similarity to MM235336
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8819 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243198
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Similarity to MM243198
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8519 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM240476
Similarity: 0.7302
Similarity to MM240476
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.844 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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