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DocumentationIdentifier: MM284807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284807 |
| SMILES |
N#CCC(F)=CCNC=O
|
| InChIKey |
GMFKGNUZCWCPGG-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171063
Similarity: 0.7864
Similarity to MM171063
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284806
Similarity: 0.6807
Similarity to MM284806
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.8104 |
| Dice metric | 0.81 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294907
Similarity: 0.6694
Similarity to MM294907
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.802 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
