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DocumentationIdentifier: MM253046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253046 |
| SMILES |
C=C(C#CC)C#CC(=N)N
|
| InChIKey |
VSEWDDLRSKTTGX-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: 0.914
Similarity to MM146219
| Tanimoto metric | 0.914 |
|---|---|
| Cosine metric | 0.956 |
| Dice metric | 0.9551 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79991
Similarity: 0.7312
Similarity to MM79991
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323812
Similarity: 0.7203
Similarity to MM323812
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8374 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
