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DocumentationIdentifier: MM228166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228166 |
| SMILES |
CC(=O)NCC(C)(O)C=O
|
| InChIKey |
QCWQOGTUIJJEQL-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41898
Similarity: 0.746
Similarity to MM41898
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77355
Similarity: 0.6957
Similarity to MM77355
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8205 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130417
Similarity: 0.6905
Similarity to MM130417
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
