Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM234675
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234675 |
| SMILES |
CCC(C)C(C)(O)C(C)=O
|
| InChIKey |
PQQHPSBDYNGOLU-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225576
Similarity: 0.7468
Similarity to MM225576
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8551 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40583
Similarity: 0.7254
Similarity to MM40583
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40483
Similarity: 0.7113
Similarity to MM40483
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
