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DocumentationIdentifier: MM157797
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157797 |
| SMILES |
CC(C=CCN)NC=O
|
| InChIKey |
SNGHPAJWJIDNOI-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.36
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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MM62802
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Similarity to MM62802
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302861
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| Tanimoto metric | 0.8286 |
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| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305626
Similarity: 0.6941
Similarity to MM305626
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8194 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
