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DocumentationIdentifier: MM308210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308210 |
| SMILES |
CC(CF)(CF)NCC#N
|
| InChIKey |
CYIJWMJVDRXVOT-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41612
Similarity: 0.8353
Similarity to MM41612
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307898
Similarity: 0.7204
Similarity to MM307898
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8375 |
| MW: | 155.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198715
Similarity: 0.7176
Similarity to MM198715
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
