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DocumentationIdentifier: MM304674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304674 |
| SMILES |
CC=CC(=CCN)NC=N
|
| InChIKey |
FMFWLULRALFUMJ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178714
Similarity: 0.8037
Similarity to MM178714
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379190
Similarity: 0.7931
Similarity to MM379190
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8846 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82260
Similarity: 0.712
Similarity to MM82260
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8318 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
