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DocumentationIdentifier: MM229434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229434 |
| SMILES |
C#CC(C)(CF)CC(=N)N
|
| InChIKey |
GUETVFOQRKNADT-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150095
Similarity: 0.7698
Similarity to MM150095
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130724
Similarity: 0.6429
Similarity to MM130724
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.7826 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229574
Similarity: 0.587
Similarity to MM229574
| Tanimoto metric | 0.587 |
|---|---|
| Cosine metric | 0.7483 |
| Dice metric | 0.7397 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
