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DocumentationIdentifier: MM112718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112718 |
| SMILES |
CC(CF)NCC#N
|
| InChIKey |
CXFYSJCPHFWITB-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198715
Similarity: 0.8689
Similarity to MM198715
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41612
Similarity: 0.7465
Similarity to MM41612
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97897
Similarity: 0.6981
Similarity to MM97897
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 105.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
