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DocumentationIdentifier: MM292023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292023 |
| SMILES |
CC=CC(=O)NC(C)CF
|
| InChIKey |
LYGQKLPCIVXSCI-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289812
Similarity: 0.7
Similarity to MM289812
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8235 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298703
Similarity: 0.6881
Similarity to MM298703
| Tanimoto metric | 0.6881 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276047
Similarity: 0.6642
Similarity to MM276047
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7982 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
