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DocumentationIdentifier: MM223387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223387 |
| SMILES |
CC(F)=CC(=O)NC(C)C
|
| InChIKey |
VTDLYRNVWIGVRL-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136222
Similarity: 0.8435
Similarity to MM136222
| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238140
Similarity: 0.7348
Similarity to MM238140
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8472 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238170
Similarity: 0.7132
Similarity to MM238170
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8326 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
