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DocumentationIdentifier: MM284762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284762 |
| SMILES |
CCOCC=C(C)NC=N
|
| InChIKey |
GISJDOCLQHAYQU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.12
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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MM159564
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107884
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| Tanimoto metric | 0.6979 |
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| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360278
Similarity: 0.6855
Similarity to MM360278
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8134 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
