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DocumentationIdentifier: MM301750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301750 |
| SMILES |
C=CCNCC(O)C(N)=O
|
| InChIKey |
XJHQQFQROJBMPE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301442
Similarity: 0.7712
Similarity to MM301442
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8708 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163411
Similarity: 0.7165
Similarity to MM163411
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8349 |
| MW: | 143.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348941
Similarity: 0.7054
Similarity to MM348941
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8273 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
