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DocumentationIdentifier: MM392904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392904 |
| SMILES |
CCNCC(OC)C(N)=O
|
| InChIKey |
ZPDZAOYOUDBZAE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179825
Similarity: 0.8387
Similarity to MM179825
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305239
Similarity: 0.7292
Similarity to MM305239
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8434 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275208
Similarity: 0.7143
Similarity to MM275208
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
