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DocumentationIdentifier: MM62121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62121 |
| SMILES |
CCC(O)CN(C)C(C)=O
|
| InChIKey |
DORBBCIKMYQCSF-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79713
Similarity: 0.7883
Similarity to MM79713
| Tanimoto metric | 0.7883 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8816 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133663
Similarity: 0.771
Similarity to MM133663
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275211
Similarity: 0.6966
Similarity to MM275211
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8211 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
