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DocumentationIdentifier: MM393157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393157 |
| SMILES |
C=CCOC(CC)C(N)=O
|
| InChIKey |
LCXFBZAMWBNFCS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305362
Similarity: 0.7107
Similarity to MM305362
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8309 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305233
Similarity: 0.6943
Similarity to MM305233
| Tanimoto metric | 0.6943 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38657
Similarity: 0.6489
Similarity to MM38657
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.787 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
