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DocumentationIdentifier: MM371018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371018 |
| SMILES |
N#CC=COC=C(F)C#N
|
| InChIKey |
DEZDQDYODSKTLU-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171379
Similarity: 0.9726
Similarity to MM171379
| Tanimoto metric | 0.9726 |
|---|---|
| Cosine metric | 0.9862 |
| Dice metric | 0.9861 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261107
Similarity: 0.9481
Similarity to MM261107
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171380
Similarity: 0.8701
Similarity to MM171380
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9306 |
| MW: | 131.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
