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DocumentationIdentifier: MM41231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41231 |
| SMILES |
CCNCC(=O)CC
|
| InChIKey |
KVPWUGMMUUWEPO-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166385
Similarity: 0.918
Similarity to MM166385
| Tanimoto metric | 0.918 |
|---|---|
| Cosine metric | 0.9581 |
| Dice metric | 0.9573 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364587
Similarity: 0.8889
Similarity to MM364587
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144615
Similarity: 0.8116
Similarity to MM144615
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+196 more
