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DocumentationIdentifier: MM171931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171931 |
| SMILES |
C=CCC(O)C(N)CF
|
| InChIKey |
DHZTXMZJWZLZSJ-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352635
Similarity: 0.824
Similarity to MM352635
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9035 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268461
Similarity: 0.741
Similarity to MM268461
| Tanimoto metric | 0.741 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8512 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111489
Similarity: 0.7282
Similarity to MM111489
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 121.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
