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DocumentationIdentifier: MM51395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51395 |
| SMILES |
N#CC(C=CF)NC=O
|
| InChIKey |
HUXYINKOLVCHPO-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274054
Similarity: 0.8103
Similarity to MM274054
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23773
Similarity: 0.7402
Similarity to MM23773
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8507 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67011
Similarity: 0.7287
Similarity to MM67011
| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
