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DocumentationIdentifier: MM163023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163023 |
| SMILES |
C=C(F)C(=O)NC=CC
|
| InChIKey |
KKEANOGNUZYQGV-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304970
Similarity: 0.8793
Similarity to MM304970
| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56317
Similarity: 0.8793
Similarity to MM56317
| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304972
Similarity: 0.843
Similarity to MM304972
| Tanimoto metric | 0.843 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9148 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
