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DocumentationIdentifier: MM48970
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48970 |
| SMILES |
CC(CO)OC=CC#N
|
| InChIKey |
IBGRXRHNINYICA-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405995
Similarity: 0.8933
Similarity to MM405995
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70041
Similarity: 0.8272
Similarity to MM70041
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113507
Similarity: 0.791
Similarity to MM113507
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
