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DocumentationIdentifier: MM357574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357574 |
| SMILES |
CCCCC(=O)C=CCO
|
| InChIKey |
LWOZNXIGYPNTPU-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
MM357734
Similarity: 0.8105
Similarity to MM357734
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8953 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157243
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| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281744
Similarity: 0.7426
Similarity to MM281744
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8523 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+625 more
