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DocumentationIdentifier: MM284841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284841 |
| SMILES |
C=CCCN=C(C)NC=C
|
| InChIKey |
JBKKVWSGVOQLEU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159578
Similarity: 0.8438
Similarity to MM159578
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284786
Similarity: 0.7431
Similarity to MM284786
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8526 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253488
Similarity: 0.7364
Similarity to MM253488
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8482 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
