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DocumentationIdentifier: MM395622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395622 |
| SMILES |
C=CC(C=CCN)C(=N)N
|
| InChIKey |
VEWLHVMBTSMLMW-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180196
Similarity: 0.8252
Similarity to MM180196
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305961
Similarity: 0.7944
Similarity to MM305961
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8854 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395620
Similarity: 0.7143
Similarity to MM395620
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
