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DocumentationIdentifier: MM113505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113505 |
| SMILES |
CCC(C)OC=CF
|
| InChIKey |
ACBMMMLCPOFOQU-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
2.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199459
Similarity: 0.873
Similarity to MM199459
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146310
Similarity: 0.8088
Similarity to MM146310
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156723
Similarity: 0.7746
Similarity to MM156723
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+872 more
