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DocumentationIdentifier: MM292314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292314 |
| SMILES |
C=CCNCC(=N)NC=C
|
| InChIKey |
QJFBOBBQHKMHPM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156405
Similarity: 0.8315
Similarity to MM156405
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166644
Similarity: 0.7753
Similarity to MM166644
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292092
Similarity: 0.7629
Similarity to MM292092
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8662 |
| Dice metric | 0.8655 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
