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DocumentationIdentifier: MM63606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63606 |
| SMILES |
C=C(C)C(CN)OC=O
|
| InChIKey |
GRFBYUKUVNKMNL-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377641
Similarity: 0.7671
Similarity to MM377641
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378004
Similarity: 0.7226
Similarity to MM378004
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.839 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243945
Similarity: 0.6788
Similarity to MM243945
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8087 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
