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DocumentationIdentifier: MM392703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392703 |
| SMILES |
N#CC(OCC=O)C(F)F
|
| InChIKey |
XDFQEMVZNJWNTH-UHFFFAOYSA-N
|
| MW [Da] |
149.1
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179717
Similarity: 0.8056
Similarity to MM179717
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54296
Similarity: 0.7593
Similarity to MM54296
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232025
Similarity: 0.685
Similarity to MM232025
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8131 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
