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DocumentationIdentifier: MM422197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM422197 |
| SMILES |
N#CC(C=CF)NCC=O
|
| InChIKey |
BXSVSJOLNNSZIG-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178233
Similarity: 0.8037
Similarity to MM178233
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42347
Similarity: 0.6542
Similarity to MM42347
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418785
Similarity: 0.5985
Similarity to MM418785
| Tanimoto metric | 0.5985 |
|---|---|
| Cosine metric | 0.7491 |
| Dice metric | 0.7489 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
