Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM206696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206696 |
| SMILES |
O=C(O)CCCCCCO
|
| InChIKey |
PNAJBOZYCFSQDJ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Heptanoic Acid
Similarity: 1
Similarity to Heptanoic Acid
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Capric Acid
Similarity: 0.963
Similarity to Capric Acid
| Tanimoto metric | 0.963 |
|---|---|
| Cosine metric | 0.9813 |
| Dice metric | 0.9811 |
| MW: | 172.27 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 3.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Octanoic Acid
Similarity: 0.963
Similarity to Octanoic Acid
| Tanimoto metric | 0.963 |
|---|---|
| Cosine metric | 0.9813 |
| Dice metric | 0.9811 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
+521 more
