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DocumentationIdentifier: MM250960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250960 |
| SMILES |
C=CNC(=O)CNC(C)C
|
| InChIKey |
MXGSCMVKKAEKJE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.24
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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MM156406
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Similarity to MM156406
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144618
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| Tanimoto metric | 0.7614 |
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| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292096
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Similarity to MM292096
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8636 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
