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DocumentationIdentifier: MM374403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374403 |
| SMILES |
C#CCC=CNC(=N)C#C
|
| InChIKey |
SHUHWXQTJWSUOZ-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168880
Similarity: 0.8913
Similarity to MM168880
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
| Dice metric | 0.9425 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374302
Similarity: 0.7961
Similarity to MM374302
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8865 |
| Dice metric | 0.8865 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374304
Similarity: 0.7885
Similarity to MM374304
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8817 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
