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DocumentationIdentifier: MM375599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375599 |
| SMILES |
CCCC(CO)C(C)CN
|
| InChIKey |
BWCRJQCBVDLKOH-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196772
Similarity: 0.7907
Similarity to MM196772
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196771
Similarity: 0.75
Similarity to MM196771
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8571 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387793
Similarity: 0.7158
Similarity to MM387793
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8344 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
