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DocumentationIdentifier: MM378004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378004 |
| SMILES |
C#CC(=C)C(CN)OC=O
|
| InChIKey |
WPRIOZDZPTUFLW-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63606
Similarity: 0.7226
Similarity to MM63606
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.839 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172859
Similarity: 0.6903
Similarity to MM172859
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8168 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295348
Similarity: 0.5934
Similarity to MM295348
| Tanimoto metric | 0.5934 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7448 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
