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DocumentationIdentifier: MM447462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447462 |
| SMILES |
C#CCCOCCOC=O
|
| InChIKey |
IRFBIHCVVRNHSO-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213076
Similarity: 0.7742
Similarity to MM213076
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213007
Similarity: 0.7742
Similarity to MM213007
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447255
Similarity: 0.75
Similarity to MM447255
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8571 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
