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DocumentationIdentifier: MM448026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448026 |
| SMILES |
C=CC1NC1C=CCCN
|
| InChIKey |
LKZKMOYWSYORON-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217138
Similarity: 0.9182
Similarity to MM217138
| Tanimoto metric | 0.9182 |
|---|---|
| Cosine metric | 0.9582 |
| Dice metric | 0.9573 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195680
Similarity: 0.8545
Similarity to MM195680
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448079
Similarity: 0.8279
Similarity to MM448079
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9059 |
| Dice metric | 0.9058 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
