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DocumentationIdentifier: MM103398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103398 |
| SMILES |
CC(O)CCC(N)=O
|
| InChIKey |
FYBCSLFQRDQHAI-UHFFFAOYSA-N
|
| MW [Da] |
117.15
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
MM144248
Similarity: 0.7901
Similarity to MM144248
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144420
Similarity: 0.7805
Similarity to MM144420
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130395
Similarity: 0.7442
Similarity to MM130395
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
