Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM433490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433490 |
| SMILES |
N#CCC(=O)OCC(=O)O
|
| InChIKey |
AXQHFCIRPPMJIG-UHFFFAOYSA-N
|
| MW [Da] |
143.1
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317352
Similarity: 0.8
Similarity to MM317352
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-(2-methylpropanoyloxy)acetic Acid
Similarity: 0.678
Similarity to 2-(2-methylpropanoyloxy)acetic Acid
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62954
Similarity: 0.6504
Similarity to MM62954
| Tanimoto metric | 0.6504 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7882 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
