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DocumentationIdentifier: MM44978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44978 |
| SMILES |
O=CCCCCC(=O)O
|
| InChIKey |
PNPPVRALIYXJBW-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Caproic Acid
Similarity: 0.9388
Similarity to Caproic Acid
| Tanimoto metric | 0.9388 |
|---|---|
| Cosine metric | 0.9689 |
| Dice metric | 0.9684 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Heptanoic Acid
Similarity: 0.8364
Similarity to Heptanoic Acid
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9109 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM206696
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Similarity to MM206696
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9109 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
