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DocumentationIdentifier: MM68447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68447 |
| SMILES |
CCCC(N)(CO)C(C)O
|
| InChIKey |
JLLVNFTYDHTQEP-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68444
Similarity: 0.8356
Similarity to MM68444
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9104 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234530
Similarity: 0.7712
Similarity to MM234530
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8708 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233070
Similarity: 0.673
Similarity to MM233070
| Tanimoto metric | 0.673 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8045 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
