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DocumentationIdentifier: MM178271
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178271 |
| SMILES |
N#CC(C=CF)OC=O
|
| InChIKey |
XODIXQIXMQMMPG-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116201
Similarity: 0.7234
Similarity to MM116201
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107562
Similarity: 0.6702
Similarity to MM107562
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8025 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136193
Similarity: 0.5676
Similarity to MM136193
| Tanimoto metric | 0.5676 |
|---|---|
| Cosine metric | 0.7265 |
| Dice metric | 0.7241 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
