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DocumentationIdentifier: MM325948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325948 |
| SMILES |
CC(CO)NC(CN)CN
|
| InChIKey |
AOHOCHHUJDXOLK-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141590
Similarity: 0.9014
Similarity to MM141590
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325958
Similarity: 0.8101
Similarity to MM325958
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8951 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198574
Similarity: 0.8028
Similarity to MM198574
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
