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DocumentationIdentifier: MM250880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250880 |
| SMILES |
CCCC(=O)CNC(C)C
|
| InChIKey |
LPLAHOFYSXSUTG-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291748
Similarity: 0.8182
Similarity to MM291748
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.9 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144615
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| Tanimoto metric | 0.8118 |
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| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224895
Similarity: 0.7368
Similarity to MM224895
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8485 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
