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DocumentationIdentifier: MM133519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133519 |
| SMILES |
CC(O)C(N)CN(C)C
|
| InChIKey |
ILKHGWXKWIEFEI-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268333
Similarity: 0.7895
Similarity to MM268333
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108070
Similarity: 0.7778
Similarity to MM108070
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161970
Similarity: 0.6481
Similarity to MM161970
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.7865 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
