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DocumentationIdentifier: MM381791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381791 |
| SMILES |
C=CCC(=CF)C(=C)CN
|
| InChIKey |
ZFLCICNNZADEAD-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416559
Similarity: 0.7447
Similarity to MM416559
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8537 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381593
Similarity: 0.7007
Similarity to MM381593
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.824 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173672
Similarity: 0.6423
Similarity to MM173672
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7822 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
