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DocumentationIdentifier: MM220901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220901 |
| SMILES |
CC(CCCCO)C(=O)O
|
| InChIKey |
WZNXBMDGFRTUOZ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162127
Similarity: 0.9268
Similarity to MM162127
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244156
Similarity: 0.9176
Similarity to MM244156
| Tanimoto metric | 0.9176 |
|---|---|
| Cosine metric | 0.9571 |
| Dice metric | 0.9571 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206697
Similarity: 0.8095
Similarity to MM206697
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8947 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
