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DocumentationIdentifier: MM358068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358068 |
| SMILES |
CC=CNC(=N)C=CNC
|
| InChIKey |
JYGULJKADZQLMO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
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 |
Similar entries
MM281957
Similarity: 0.8229
Similarity to MM281957
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.9029 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253367
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| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8587 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280738
Similarity: 0.7453
Similarity to MM280738
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8541 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
