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DocumentationIdentifier: MM197003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197003 |
| SMILES |
CN(C=O)C(C#N)CF
|
| InChIKey |
FGSXJCQPDKDRAE-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116080
Similarity: 0.701
Similarity to MM116080
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 116.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23694
Similarity: 0.6495
Similarity to MM23694
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.7875 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111593
Similarity: 0.6495
Similarity to MM111593
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.7875 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
