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DocumentationIdentifier: MM54657
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54657 |
| SMILES |
CCOCC(N)C(O)CC
|
| InChIKey |
JPSCLHRRYPPMEY-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: 0.7778
Similarity to MM161982
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55004
Similarity: 0.7522
Similarity to MM55004
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8586 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292603
Similarity: 0.7377
Similarity to MM292603
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8491 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
