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DocumentationIdentifier: MM153067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153067 |
| SMILES |
CC#CCCNC(C)=O
|
| InChIKey |
SCCDHYDOPOPOCT-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287842
Similarity: 0.8933
Similarity to MM287842
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287910
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Similarity to MM287910
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM287889
Similarity: 0.8701
Similarity to MM287889
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
