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DocumentationIdentifier: MM197151
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197151 |
| SMILES |
C#CC(C#N)C(F)CF
|
| InChIKey |
XLFQSQKQZUMZSZ-UHFFFAOYSA-N
|
| MW [Da] |
129.11
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15414
Similarity: 0.7157
Similarity to MM15414
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111635
Similarity: 0.6176
Similarity to MM111635
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7859 |
| Dice metric | 0.7636 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197170
Similarity: 0.5887
Similarity to MM197170
| Tanimoto metric | 0.5887 |
|---|---|
| Cosine metric | 0.7416 |
| Dice metric | 0.7411 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
