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DocumentationIdentifier: MM172558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172558 |
| SMILES |
CC(N=CN)C(=O)CF
|
| InChIKey |
MJGLOAVWVJNIDE-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298277
Similarity: 0.7971
Similarity to MM298277
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52194
Similarity: 0.7383
Similarity to MM52194
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8494 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61828
Similarity: 0.6727
Similarity to MM61828
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
