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DocumentationIdentifier: MM33468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33468 |
| SMILES |
CC#CC(N)C(O)CF
|
| InChIKey |
RBAIJVKEGCUILK-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28817
Similarity: 0.878
Similarity to MM28817
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357413
Similarity: 0.864
Similarity to MM357413
| Tanimoto metric | 0.864 |
|---|---|
| Cosine metric | 0.9295 |
| Dice metric | 0.927 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357411
Similarity: 0.864
Similarity to MM357411
| Tanimoto metric | 0.864 |
|---|---|
| Cosine metric | 0.9295 |
| Dice metric | 0.927 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
