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DocumentationIdentifier: MM370028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370028 |
| SMILES |
C#CCOCC=C(F)CF
|
| InChIKey |
DBMDTYBRGAIRLQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154897
Similarity: 0.7816
Similarity to MM154897
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369948
Similarity: 0.699
Similarity to MM369948
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369950
Similarity: 0.699
Similarity to MM369950
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
