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DocumentationIdentifier: MM60782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60782 |
| SMILES |
CC(C)(CO)OC=CC#N
|
| InChIKey |
BLXWBEBDQVAAAX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48970
Similarity: 0.7882
Similarity to MM48970
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60756
Similarity: 0.7553
Similarity to MM60756
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8606 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240344
Similarity: 0.7474
Similarity to MM240344
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8554 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
