Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM226813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226813 |
| SMILES |
CCC(=O)OC(C)(C)CN
|
| InChIKey |
LDTWJFWIEFXBMG-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64359
Similarity: 0.7965
Similarity to MM64359
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130800
Similarity: 0.7699
Similarity to MM130800
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328771
Similarity: 0.7377
Similarity to MM328771
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8491 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
