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DocumentationIdentifier: MM371913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371913 |
| SMILES |
C=CC(F)=CC#CCC#N
|
| InChIKey |
DGQUFPKSAWNNMO-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171673
Similarity: 0.8242
Similarity to MM171673
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155110
Similarity: 0.7802
Similarity to MM155110
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371908
Similarity: 0.7576
Similarity to MM371908
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8621 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
