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DocumentationIdentifier: MM77139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77139 |
| SMILES |
CC(CN)C(=CF)CO
|
| InChIKey |
NQFXFEDPZTZJRH-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM414050
Similarity: 0.7669
Similarity to MM414050
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8681 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75376
Similarity: 0.7338
Similarity to MM75376
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85431
Similarity: 0.6569
Similarity to MM85431
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.7929 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
