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DocumentationIdentifier: MM258202
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258202 |
| SMILES |
CCC(=O)CCCN(C)C
|
| InChIKey |
KZTGSPAWPUFDRN-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.31
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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MM52031
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| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM91866
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Similarity to MM91866
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291725
Similarity: 0.7722
Similarity to MM291725
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8714 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
