Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM112997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112997 |
| SMILES |
O=C(CO)CCCO
|
| InChIKey |
XROYCWZMPOOEDP-UHFFFAOYSA-N
|
| MW [Da] |
118.13
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
MM26350
Similarity: 0.8333
Similarity to MM26350
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104538
Similarity: 0.7586
Similarity to MM104538
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8627 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25834
Similarity: 0.75
Similarity to MM25834
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
