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DocumentationIdentifier: MM368570
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368570 |
| SMILES |
CC(C=O)OCC=CC#N
|
| InChIKey |
FCIUYMWMGKAYJA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167313
Similarity: 0.8312
Similarity to MM167313
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91604
Similarity: 0.7805
Similarity to MM91604
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8767 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405264
Similarity: 0.7529
Similarity to MM405264
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8591 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
