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DocumentationIdentifier: MM350708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350708 |
| SMILES |
C#CCOC(=O)C(C)OC
|
| InChIKey |
GMGLHNLJBAZXDT-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
MM173004
Similarity: 0.8136
Similarity to MM173004
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350268
Similarity: 0.7218
Similarity to MM350268
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8384 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84711
Similarity: 0.7007
Similarity to MM84711
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.824 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
