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DocumentationIdentifier: MM251034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251034 |
| SMILES |
C=C(CCC)CCC(=N)N
|
| InChIKey |
XIHBTGSBNDBLOL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.06
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: 0.9059
Similarity to MM144801
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251035
Similarity: 0.8105
Similarity to MM251035
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8953 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254969
Similarity: 0.7573
Similarity to MM254969
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8619 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
