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DocumentationIdentifier: MM73424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73424 |
| SMILES |
CC(O)C(C)OC=CC#N
|
| InChIKey |
UGGMBQUJPQGACR-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
MM162827
Similarity: 0.8351
Similarity to MM162827
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405988
Similarity: 0.8173
Similarity to MM405988
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8995 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73412
Similarity: 0.757
Similarity to MM73412
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8617 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
