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DocumentationIdentifier: MM364232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364232 |
| SMILES |
C=C(C=CCNC=N)CN
|
| InChIKey |
LCKULMBQCBOZHL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81232
Similarity: 0.8049
Similarity to MM81232
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281747
Similarity: 0.7174
Similarity to MM281747
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8354 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364234
Similarity: 0.6804
Similarity to MM364234
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
