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DocumentationIdentifier: MM345698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345698 |
| SMILES |
C#CC(C#CC(=N)N)=CC
|
| InChIKey |
MQAGHMOOKFPTIF-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146219
Similarity: 0.7658
Similarity to MM146219
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253149
Similarity: 0.72
Similarity to MM253149
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8372 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253046
Similarity: 0.7143
Similarity to MM253046
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8333 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
