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DocumentationIdentifier: MM156942
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156942 |
| SMILES |
C=CCC(=N)NC=CC
|
| InChIKey |
KDNHWIZRGLRDOT-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM280319
Similarity: 0.9022
Similarity to MM280319
| Tanimoto metric | 0.9022 |
|---|---|
| Cosine metric | 0.9498 |
| Dice metric | 0.9486 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253297
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| Tanimoto metric | 0.8557 |
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| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280427
Similarity: 0.83
Similarity to MM280427
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
