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DocumentationIdentifier: MM77819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77819 |
| SMILES |
N#CC#CC(F)(C#N)CF
|
| InChIKey |
SNFPDQAEEXMRDL-UHFFFAOYSA-N
|
| MW [Da] |
140.09
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139037
Similarity: 0.6692
Similarity to MM139037
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8018 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42097
Similarity: 0.6615
Similarity to MM42097
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7963 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111446
Similarity: 0.6154
Similarity to MM111446
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7619 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
