Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation4-Phenylbutylamine
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00096 |
| SMILES |
NCCCCc1ccccc1
|
| InChIKey |
AGNFWIZBEATIAK-UHFFFAOYSA-N
|
| MW [Da] |
149.24
Automatically obtained from RDkit software. |
| LogP |
1.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
83242
|
|
DrugBank |
DB04311
|
|
ChEBI |
N/A |
|
PDB |
PBN
|
|
ChEMBL |
CHEMBL79512
|
Similar entries
Phenylbutyric Acid
Similarity: 0.6275
Similarity to Phenylbutyric Acid
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7711 |
| MW: | 164.2 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-n-butylphenol
Similarity: 0.6275
Similarity to 4-n-butylphenol
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7711 |
| MW: | 150.22 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Dextroamphetamine
Similarity: 0.617
Similarity to Dextroamphetamine
| Tanimoto metric | 0.617 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7632 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 6
Total active interactions
|
+29 more
