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DocumentationIdentifier: MM104259
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104259 |
| SMILES |
CC(CN)CC(N)=O
|
| InChIKey |
WRVGHPYSKSHFTC-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149886
Similarity: 0.8462
Similarity to MM149886
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108157
Similarity: 0.7813
Similarity to MM108157
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8772 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130726
Similarity: 0.7639
Similarity to MM130726
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8661 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
