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DocumentationIdentifier: MM239507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239507 |
| SMILES |
CCC(F)(F)COCC#N
|
| InChIKey |
RVSRNFXEXTXDIP-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40208
Similarity: 0.7228
Similarity to MM40208
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239326
Similarity: 0.713
Similarity to MM239326
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8325 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239506
Similarity: 0.6949
Similarity to MM239506
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.82 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
