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DocumentationIdentifier: MM387173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387173 |
| SMILES |
COCCC(C#N)OC=O
|
| InChIKey |
WYNGZXTVJVXVTA-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116091
Similarity: 0.6701
Similarity to MM116091
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155892
Similarity: 0.6495
Similarity to MM155892
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.7875 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376546
Similarity: 0.6364
Similarity to MM376546
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7778 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
