Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationCaproic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00636 |
| SMILES |
CCCCCC(=O)O
|
| InChIKey |
FUZZWVXGSFPDMH-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
8892
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44978
Similarity: 0.9388
Similarity to MM44978
| Tanimoto metric | 0.9388 |
|---|---|
| Cosine metric | 0.9689 |
| Dice metric | 0.9684 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Heptanoic Acid
Similarity: 0.8846
Similarity to Heptanoic Acid
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206696
Similarity: 0.8846
Similarity to MM206696
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
