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DocumentationIdentifier: MM305706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305706 |
| SMILES |
CNCC(C=CF)C(=N)N
|
| InChIKey |
PQYDUFODXWLMEW-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179954
Similarity: 0.7642
Similarity to MM179954
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174143
Similarity: 0.635
Similarity to MM174143
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7768 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244186
Similarity: 0.6
Similarity to MM244186
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.75 |
| Dice metric | 0.75 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
