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DocumentationIdentifier: MM157362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157362 |
| SMILES |
C#CCOC(=O)C=CN
|
| InChIKey |
ULFBRYAEPZOZCD-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM357891
Similarity: 0.8218
Similarity to MM357891
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113411
Similarity: 0.759
Similarity to MM113411
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167725
Similarity: 0.6495
Similarity to MM167725
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7875 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
