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DocumentationIdentifier: MM311673
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311673 |
| SMILES |
CCC(F)(C#CCF)CO
|
| InChIKey |
SEDBPCSEYKBARE-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311753
Similarity: 0.6968
Similarity to MM311753
| Tanimoto metric | 0.6968 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8213 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61631
Similarity: 0.6879
Similarity to MM61631
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8156 |
| Dice metric | 0.8151 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73322
Similarity: 0.6646
Similarity to MM73322
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.7985 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
