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DocumentationIdentifier: MM76932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76932 |
| SMILES |
COC(=O)C(C)(C#N)C=O
|
| InChIKey |
CHVXXEIINMCSIJ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53499
Similarity: 0.75
Similarity to MM53499
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76933
Similarity: 0.6554
Similarity to MM76933
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7918 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137913
Similarity: 0.6439
Similarity to MM137913
| Tanimoto metric | 0.6439 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7834 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
