Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM452838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452838 |
| SMILES |
NCC=COC=CNC=O
|
| InChIKey |
BKEPUWFGJMDJSU-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215368
Similarity: 0.8286
Similarity to MM215368
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452833
Similarity: 0.7342
Similarity to MM452833
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8467 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453213
Similarity: 0.7195
Similarity to MM453213
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8369 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
