Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation2-but-3-ynoxyacetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03552 |
| SMILES |
C#CCCOCC(=O)O
|
| InChIKey |
CSCYIHSLRZZOIB-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
19373374
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365422
Similarity: 0.8148
Similarity to MM365422
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63883
Similarity: 0.7021
Similarity to MM63883
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307656
Similarity: 0.6986
Similarity to MM307656
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8226 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
