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DocumentationIdentifier: MM345824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345824 |
| SMILES |
CCC(CN)OC=C(F)F
|
| InChIKey |
DGQBMJNEKPCTCL-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199461
Similarity: 0.8485
Similarity to MM199461
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388014
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Similarity to MM388014
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146310
Similarity: 0.6869
Similarity to MM146310
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+553 more
