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DocumentationIdentifier: MM80371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80371 |
| SMILES |
CC(C#N)OC(=CF)CO
|
| InChIKey |
BSSIRZIOZFXHGM-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54736
Similarity: 0.725
Similarity to MM54736
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150262
Similarity: 0.7167
Similarity to MM150262
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.835 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331306
Similarity: 0.7077
Similarity to MM331306
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8288 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
