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DocumentationIdentifier: MM246783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246783 |
| SMILES |
C=C(CN)CC(=C)C(=N)N
|
| InChIKey |
XJHFZLFITYGBSG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134013
Similarity: 0.9091
Similarity to MM134013
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246947
Similarity: 0.7299
Similarity to MM246947
| Tanimoto metric | 0.7299 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8439 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247233
Similarity: 0.7143
Similarity to MM247233
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8333 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
