Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00608 |
| SMILES |
CNC(=O)Cc1ccc(CC(=O)O)cc1
|
| InChIKey |
IOCKQBFTFIYFDY-UHFFFAOYSA-N
|
| MW [Da] |
207.23
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
14180952
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
Similarity: 0.9163
Similarity to 4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
| Tanimoto metric | 0.9163 |
|---|---|
| Cosine metric | 0.9572 |
| Dice metric | 0.9563 |
| MW: | 221.26 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
Similarity: 0.6912
Similarity to [4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8174 |
| MW: | 278.31 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-Methylphenylacetic Acid
Similarity: 0.6802
Similarity to 4-Methylphenylacetic Acid
| Tanimoto metric | 0.6802 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8097 |
| MW: | 150.18 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
