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DocumentationIdentifier: MM157267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157267 |
| SMILES |
NC=CC(=O)NCCO
|
| InChIKey |
LUOZJRHTBDUUKR-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281008
Similarity: 0.8646
Similarity to MM281008
| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273000
Similarity: 0.759
Similarity to MM273000
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304104
Similarity: 0.759
Similarity to MM304104
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
