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DocumentationIdentifier: MM251035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251035 |
| SMILES |
C=C(CCN)CCC(=N)N
|
| InChIKey |
QNAGESBJIBRDHF-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144801
Similarity: 0.8851
Similarity to MM144801
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251034
Similarity: 0.8105
Similarity to MM251034
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8953 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254969
Similarity: 0.7264
Similarity to MM254969
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8415 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
