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DocumentationIdentifier: MM384421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384421 |
| SMILES |
CNC(=O)C(C=O)=CCO
|
| InChIKey |
UWLGPNXCWLWSRM-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86927
Similarity: 0.7
Similarity to MM86927
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8235 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301746
Similarity: 0.7
Similarity to MM301746
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8235 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274410
Similarity: 0.6914
Similarity to MM274410
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8175 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
