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DocumentationIdentifier: MM359032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359032 |
| SMILES |
CC=CCC(F)C#CC#N
|
| InChIKey |
CPLVUCOHCVFFGG-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158416
Similarity: 0.8298
Similarity to MM158416
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157586
Similarity: 0.8191
Similarity to MM157586
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280792
Similarity: 0.7549
Similarity to MM280792
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8603 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
