Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM137766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137766 |
| SMILES |
CCC(=O)C(C)(C)CO
|
| InChIKey |
HGCQBVFVGNDETR-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242135
Similarity: 0.8119
Similarity to MM242135
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223865
Similarity: 0.7579
Similarity to MM223865
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8623 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28688
Similarity: 0.7317
Similarity to MM28688
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
