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DocumentationIdentifier: MM328667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328667 |
| SMILES |
CCC(CF)NC(=O)CO
|
| InChIKey |
VQYUUEXDICVHQK-UHFFFAOYSA-N
|
| MW [Da] |
149.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244986
Similarity: 0.7867
Similarity to MM244986
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8806 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44470
Similarity: 0.7638
Similarity to MM44470
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142051
Similarity: 0.7244
Similarity to MM142051
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8402 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
