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DocumentationIdentifier: MM253125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253125 |
| SMILES |
CC(C#CC(=N)N)=CC#N
|
| InChIKey |
KLESTHFJMFCYCN-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253149
Similarity: 0.7143
Similarity to MM253149
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8333 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253104
Similarity: 0.7054
Similarity to MM253104
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8273 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253124
Similarity: 0.6894
Similarity to MM253124
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.8161 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
