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DocumentationIdentifier: MM381593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381593 |
| SMILES |
C=C(CN)C(=CF)CCN
|
| InChIKey |
AFWJCYXWGMZFFM-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416044
Similarity: 0.7597
Similarity to MM416044
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8634 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381791
Similarity: 0.7007
Similarity to MM381791
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.824 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381595
Similarity: 0.6929
Similarity to MM381595
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8186 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
