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DocumentationIdentifier: MM301483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301483 |
| SMILES |
CC=CC(=O)NCC
|
| InChIKey |
ILZUEDQCWIOLLZ-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304677
Similarity: 0.8551
Similarity to MM304677
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298733
Similarity: 0.7973
Similarity to MM298733
| Tanimoto metric | 0.7973 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298703
Similarity: 0.7867
Similarity to MM298703
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
