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DocumentationIdentifier: MM388826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388826 |
| SMILES |
C=CC(C=CF)CNCC
|
| InChIKey |
GQEQSPWZLIDZPG-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86563
Similarity: 0.8519
Similarity to MM86563
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86615
Similarity: 0.8118
Similarity to MM86615
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8961 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279147
Similarity: 0.7363
Similarity to MM279147
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8481 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
