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DocumentationIdentifier: MM85131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85131 |
| SMILES |
N#CCNC(=O)CNC=N
|
| InChIKey |
FZVLVWHAJGLICJ-UHFFFAOYSA-N
|
| MW [Da] |
140.15
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156291
Similarity: 0.7872
Similarity to MM156291
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355864
Similarity: 0.74
Similarity to MM355864
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8506 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83286
Similarity: 0.6981
Similarity to MM83286
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8222 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
