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DocumentationIdentifier: MM378021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378021 |
| SMILES |
C=CC=CN(C=O)CCC
|
| InChIKey |
BPLUZCZQJJHERD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM178236
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Similarity to MM178236
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74913
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| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.841 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388860
Similarity: 0.7009
Similarity to MM388860
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
