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DocumentationIdentifier: MM166644
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166644 |
| SMILES |
C=CCNCC(=N)NC
|
| InChIKey |
LBEKZAROWBQEMI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302457
Similarity: 0.7931
Similarity to MM302457
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89635
Similarity: 0.7927
Similarity to MM89635
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8844 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292314
Similarity: 0.7753
Similarity to MM292314
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
