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DocumentationIdentifier: MM380868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380868 |
| SMILES |
O=C(C=CF)C1CN1
|
| InChIKey |
CGNQUQRUCJDPOI-UHFFFAOYSA-N
|
| MW [Da] |
115.11
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM397158
Similarity: 0.7377
Similarity to MM397158
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403902
Similarity: 0.596
Similarity to MM403902
| Tanimoto metric | 0.596 |
|---|---|
| Cosine metric | 0.7469 |
| Dice metric | 0.7469 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391028
Similarity: 0.5948
Similarity to MM391028
| Tanimoto metric | 0.5948 |
|---|---|
| Cosine metric | 0.7459 |
| Dice metric | 0.7459 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
