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DocumentationIdentifier: MM76689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76689 |
| SMILES |
C#CC(F)C(C)(C#C)OC
|
| InChIKey |
XVSSUVSKPBGCSF-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139927
Similarity: 0.7716
Similarity to MM139927
| Tanimoto metric | 0.7716 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15331
Similarity: 0.6975
Similarity to MM15331
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197076
Similarity: 0.6728
Similarity to MM197076
| Tanimoto metric | 0.6728 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8044 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
