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DocumentationIdentifier: MM287091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287091 |
| SMILES |
CNCCCCNC(C)=O
|
| InChIKey |
KEPBQVXBLDWTSJ-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152689
Similarity: 0.9677
Similarity to MM152689
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364690
Similarity: 0.8108
Similarity to MM364690
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8955 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83849
Similarity: 0.75
Similarity to MM83849
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8571 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+655 more
