Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM77947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77947 |
| SMILES |
COCC(C#N)(CO)CO
|
| InChIKey |
TWNKCQWYOMEHPT-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42217
Similarity: 0.9178
Similarity to MM42217
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61443
Similarity: 0.8816
Similarity to MM61443
| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9371 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78039
Similarity: 0.7882
Similarity to MM78039
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
