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DocumentationIdentifier: MM320399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320399 |
| SMILES |
CN(C=O)CCC(F)=CF
|
| InChIKey |
IPGMAWKQGORIMV-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM144509
Similarity: 0.7905
Similarity to MM144509
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320398
Similarity: 0.7049
Similarity to MM320398
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8269 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341129
Similarity: 0.6587
Similarity to MM341129
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7943 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
