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DocumentationIdentifier: MM288873
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288873 |
| SMILES |
N#CC(CF)NCCO
|
| InChIKey |
UEHAKPKEGATOCI-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403083
Similarity: 0.8367
Similarity to MM403083
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198852
Similarity: 0.6848
Similarity to MM198852
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8129 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288798
Similarity: 0.6463
Similarity to MM288798
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.7852 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
