Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationHeptanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00653 |
| SMILES |
CCCCCCC(=O)O
|
| InChIKey |
MNWFXJYAOYHMED-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
8094
|
|
DrugBank |
DB02938
|
|
ChEBI |
45571
|
|
PDB |
SHV
|
|
ChEMBL |
CHEMBL320358
|
Similar entries
MM206696
Similarity: 1
Similarity to MM206696
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| 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
|
+417 more
