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DocumentationIdentifier: MM93212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93212 |
| SMILES |
CCC(CNC)CNC=O
|
| InChIKey |
AKZQLVNQTWKOOC-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198645
Similarity: 0.9167
Similarity to MM198645
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392373
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Similarity to MM392373
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8684 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385975
Similarity: 0.7674
Similarity to MM385975
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8684 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
