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DocumentationIdentifier: MM390346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390346 |
| SMILES |
CC=C(F)C(C#N)C(=N)N
|
| InChIKey |
BEOAQFGZLHPHCU-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47521
Similarity: 0.743
Similarity to MM47521
| Tanimoto metric | 0.743 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390348
Similarity: 0.6256
Similarity to MM390348
| Tanimoto metric | 0.6256 |
|---|---|
| Cosine metric | 0.7697 |
| Dice metric | 0.7697 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300408
Similarity: 0.5962
Similarity to MM300408
| Tanimoto metric | 0.5962 |
|---|---|
| Cosine metric | 0.7493 |
| Dice metric | 0.747 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
