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DocumentationIdentifier: MM319989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319989 |
| SMILES |
COC(C)(C#N)C(F)C#N
|
| InChIKey |
IDHBPHYSLWTXPH-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139909
Similarity: 0.7588
Similarity to MM139909
| Tanimoto metric | 0.7588 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41563
Similarity: 0.7
Similarity to MM41563
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137560
Similarity: 0.6824
Similarity to MM137560
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8112 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
