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DocumentationIdentifier: MM325952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325952 |
| SMILES |
CC(CO)NC(CN)CO
|
| InChIKey |
UYMTZQNAMHWRJO-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198577
Similarity: 0.8933
Similarity to MM198577
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141590
Similarity: 0.8533
Similarity to MM141590
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198576
Similarity: 0.7975
Similarity to MM198576
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8873 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
