Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM329453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329453 |
| SMILES |
CCC(=O)OC(C#N)CO
|
| InChIKey |
QWUYXXJAPSSCRW-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150054
Similarity: 0.7881
Similarity to MM150054
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66894
Similarity: 0.6884
Similarity to MM66894
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330332
Similarity: 0.6719
Similarity to MM330332
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.8037 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
