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DocumentationIdentifier: MM322945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322945 |
| SMILES |
C#CC(F)C#CC(N)CO
|
| InChIKey |
KAVIBDPVEAROTR-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145967
Similarity: 0.7429
Similarity to MM145967
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322774
Similarity: 0.6967
Similarity to MM322774
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8213 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225199
Similarity: 0.6746
Similarity to MM225199
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8057 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
