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DocumentationIdentifier: MM395511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395511 |
| SMILES |
N#CC=CC(CF)C(=N)N
|
| InChIKey |
KDLXCBHECJSTMH-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180151
Similarity: 0.8125
Similarity to MM180151
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275831
Similarity: 0.698
Similarity to MM275831
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8221 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275834
Similarity: 0.6034
Similarity to MM275834
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7553 |
| Dice metric | 0.7527 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
