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DocumentationIdentifier: MM47816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47816 |
| SMILES |
C#CC(C)=C(F)C(N)=O
|
| InChIKey |
RRKUZWYNORJAIZ-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73026
Similarity: 0.903
Similarity to MM73026
| Tanimoto metric | 0.903 |
|---|---|
| Cosine metric | 0.9503 |
| Dice metric | 0.949 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354920
Similarity: 0.7756
Similarity to MM354920
| Tanimoto metric | 0.7756 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8736 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300839
Similarity: 0.7118
Similarity to MM300839
| Tanimoto metric | 0.7118 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8316 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
