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DocumentationIdentifier: MM245194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245194 |
| SMILES |
NCC(O)CC(O)C(N)=O
|
| InChIKey |
AELRQVTYYZQGFA-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-2.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144248
Similarity: 0.7297
Similarity to MM144248
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245391
Similarity: 0.7083
Similarity to MM245391
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8293 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245390
Similarity: 0.7083
Similarity to MM245390
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8293 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
