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DocumentationIdentifier: MM237251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237251 |
| SMILES |
C=C(F)CC(=N)NC=CC
|
| InChIKey |
ULLVLTVWQYKXJP-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135602
Similarity: 0.8595
Similarity to MM135602
| Tanimoto metric | 0.8595 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9244 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265142
Similarity: 0.7
Similarity to MM265142
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8235 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156942
Similarity: 0.686
Similarity to MM156942
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
