Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM52173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52173 |
| SMILES |
COCC(C#N)C(C)O
|
| InChIKey |
VLSJKMJGFBXSPJ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94130
Similarity: 0.8302
Similarity to MM94130
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196958
Similarity: 0.7745
Similarity to MM196958
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8729 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376471
Similarity: 0.7586
Similarity to MM376471
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
