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DocumentationIdentifier: MM378312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378312 |
| SMILES |
C=C(CO)C(C#N)OC=O
|
| InChIKey |
WIWGMTWDLURWMP-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50126
Similarity: 0.6828
Similarity to MM50126
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8115 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378708
Similarity: 0.6215
Similarity to MM378708
| Tanimoto metric | 0.6215 |
|---|---|
| Cosine metric | 0.7666 |
| Dice metric | 0.7666 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378846
Similarity: 0.5978
Similarity to MM378846
| Tanimoto metric | 0.5978 |
|---|---|
| Cosine metric | 0.7484 |
| Dice metric | 0.7483 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
