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DocumentationIdentifier: MM413888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413888 |
| SMILES |
CCCCOC(C=O)=CN
|
| InChIKey |
GGGBQKUZSURBQZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200113
Similarity: 0.8558
Similarity to MM200113
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414607
Similarity: 0.7672
Similarity to MM414607
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8683 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342130
Similarity: 0.7607
Similarity to MM342130
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8641 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
