Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM42650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42650 |
| SMILES |
COC(C)(C=O)C(C)=O
|
| InChIKey |
NDFNUZLWUNFNBE-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53085
Similarity: 0.7232
Similarity to MM53085
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8394 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307114
Similarity: 0.72
Similarity to MM307114
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307110
Similarity: 0.7152
Similarity to MM307110
| Tanimoto metric | 0.7152 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
