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DocumentationIdentifier: MM74854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74854 |
| SMILES |
C#CC=C(F)C(=O)N(C)C
|
| InChIKey |
VRFLCRJYYJRBFW-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51124
Similarity: 0.8175
Similarity to MM51124
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.8996 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161473
Similarity: 0.7956
Similarity to MM161473
| Tanimoto metric | 0.7956 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361510
Similarity: 0.7044
Similarity to MM361510
| Tanimoto metric | 0.7044 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8266 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
