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DocumentationIdentifier: MM88652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88652 |
| SMILES |
N#CCNC(=N)CNC=N
|
| InChIKey |
JHTUFTKSAMXKJW-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156289
Similarity: 0.8588
Similarity to MM156289
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62485
Similarity: 0.8022
Similarity to MM62485
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8902 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156262
Similarity: 0.7765
Similarity to MM156262
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
