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DocumentationIdentifier: MM38725
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38725 |
| SMILES |
C=CCNC(C#N)CF
|
| InChIKey |
IUBZTIJDLBJTDU-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198852
Similarity: 0.6923
Similarity to MM198852
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8182 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199043
Similarity: 0.63
Similarity to MM199043
| Tanimoto metric | 0.63 |
|---|---|
| Cosine metric | 0.773 |
| Dice metric | 0.773 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288873
Similarity: 0.63
Similarity to MM288873
| Tanimoto metric | 0.63 |
|---|---|
| Cosine metric | 0.773 |
| Dice metric | 0.773 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
