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DocumentationIdentifier: MM235029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235029 |
| SMILES |
CCOCC(C)(O)C(C)N
|
| InChIKey |
GHODOHUVQLNIMA-UHFFFAOYSA-N
|
| MW [Da] |
147.22
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
MM132592
Similarity: 0.8201
Similarity to MM132592
| Tanimoto metric | 0.8201 |
|---|---|
| Cosine metric | 0.9056 |
| Dice metric | 0.9012 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67151
Similarity: 0.7483
Similarity to MM67151
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8561 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235087
Similarity: 0.6988
Similarity to MM235087
| Tanimoto metric | 0.6988 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8227 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
