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DocumentationIdentifier: MM348711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348711 |
| SMILES |
C#CC(F)C(C)OCCO
|
| InChIKey |
KBNGIFGXEZCBGF-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348760
Similarity: 0.7113
Similarity to MM348760
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8313 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94086
Similarity: 0.6928
Similarity to MM94086
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8185 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111643
Similarity: 0.6639
Similarity to MM111643
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.798 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
