Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationPhenylbutyric Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01289 |
| SMILES |
O=C(O)CCCc1ccccc1
|
| InChIKey |
OBKXEAXTFZPCHS-UHFFFAOYSA-N
|
| MW [Da] |
164.2
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
4775
|
|
DrugBank |
DB06819
|
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
CHEMBL1469
|
Similar entries
5-Phenylvaleric Acid
Similarity: 0.7346
Similarity to 5-Phenylvaleric Acid
| Tanimoto metric | 0.7346 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.847 |
| MW: | 178.23 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
7-Phenylheptanoic Acid
Similarity: 0.6919
Similarity to 7-Phenylheptanoic Acid
| Tanimoto metric | 0.6919 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.8179 |
| MW: | 206.29 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-Phenylbutylamine
Similarity: 0.6275
Similarity to 4-Phenylbutylamine
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7711 |
| MW: | 149.24 |
||||
|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
