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DocumentationIdentifier: MM250928
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250928 |
| SMILES |
COCC(=O)OCC(C)N
|
| InChIKey |
RESBQYNEEBXZGI-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144690
Similarity: 0.8544
Similarity to MM144690
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316719
Similarity: 0.7333
Similarity to MM316719
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8462 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258122
Similarity: 0.7281
Similarity to MM258122
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8426 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
