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DocumentationIdentifier: MM355097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355097 |
| SMILES |
CCC=CC(O)C(N)CO
|
| InChIKey |
WUIYKBICWJLDFV-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173957
Similarity: 0.8609
Similarity to MM173957
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163122
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| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305680
Similarity: 0.7355
Similarity to MM305680
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8476 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
