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DocumentationIdentifier: MM305758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305758 |
| SMILES |
C=CCC(C=CF)C(=N)N
|
| InChIKey |
IEYZRSSWGCZATP-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180149
Similarity: 0.8268
Similarity to MM180149
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394092
Similarity: 0.777
Similarity to MM394092
| Tanimoto metric | 0.777 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.8745 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180003
Similarity: 0.748
Similarity to MM180003
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
