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DocumentationIdentifier: MM401168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM401168 |
| SMILES |
C=CC(=CF)C(C=C)CN
|
| InChIKey |
GLBCBFJFQRREPK-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197609
Similarity: 0.748
Similarity to MM197609
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379616
Similarity: 0.7203
Similarity to MM379616
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8374 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400990
Similarity: 0.6879
Similarity to MM400990
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.817 |
| Dice metric | 0.8151 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
