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DocumentationIdentifier: MM254514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254514 |
| SMILES |
CC(C)OCC(N)C(C)O
|
| InChIKey |
ATLNWDFLOQZILN-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
MM161982
Similarity: 0.8571
Similarity to MM161982
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55004
Similarity: 0.8077
Similarity to MM55004
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8936 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144059
Similarity: 0.7041
Similarity to MM144059
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8263 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
