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DocumentationIdentifier: MM133017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133017 |
| SMILES |
CC(=O)CNCC(C)C
|
| InChIKey |
SJHSVXQMHYTEKW-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.82
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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MM220890
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47160
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258088
Similarity: 0.7671
Similarity to MM258088
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
