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DocumentationIdentifier: MM348760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348760 |
| SMILES |
C#CC(F)C(C)OCC#N
|
| InChIKey |
QOHHYMJHLRWHQE-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348711
Similarity: 0.7113
Similarity to MM348711
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8313 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111643
Similarity: 0.6371
Similarity to MM111643
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7783 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94086
Similarity: 0.6196
Similarity to MM94086
| Tanimoto metric | 0.6196 |
|---|---|
| Cosine metric | 0.7666 |
| Dice metric | 0.7652 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
