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DocumentationIdentifier: MM281649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281649 |
| SMILES |
CC(C=CCC#N)OC=O
|
| InChIKey |
WQBGBCGZTIFVIH-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157801
Similarity: 0.7955
Similarity to MM157801
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281648
Similarity: 0.6731
Similarity to MM281648
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8046 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107561
Similarity: 0.6705
Similarity to MM107561
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
