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DocumentationIdentifier: MM139927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139927 |
| SMILES |
C#CC(C)(OC)C(C)F
|
| InChIKey |
GXYIGQDSOQRONO-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76689
Similarity: 0.7716
Similarity to MM76689
| Tanimoto metric | 0.7716 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229838
Similarity: 0.7267
Similarity to MM229838
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8418 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320122
Similarity: 0.6906
Similarity to MM320122
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.817 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+733 more
