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DocumentationIdentifier: MM317488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317488 |
| SMILES |
C=CC(O)CNC(=N)CC
|
| InChIKey |
IPBRJPQIPXJEFW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144442
Similarity: 0.8182
Similarity to MM144442
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144636
Similarity: 0.7636
Similarity to MM144636
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250886
Similarity: 0.672
Similarity to MM250886
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8038 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
