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DocumentationIdentifier: MM166708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166708 |
| SMILES |
C=CCCNC(=O)CO
|
| InChIKey |
GGDSQDXRTMBYJZ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM366908
Similarity: 0.828
Similarity to MM366908
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36333
Similarity: 0.7922
Similarity to MM36333
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78589
Similarity: 0.7624
Similarity to MM78589
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8652 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+558 more
