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DocumentationIdentifier: MM250666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250666 |
| SMILES |
CCCC(N)COC(C)=O
|
| InChIKey |
RRGOTFTVZKHFOP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68798
Similarity: 0.8396
Similarity to MM68798
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316715
Similarity: 0.7459
Similarity to MM316715
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8545 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254610
Similarity: 0.712
Similarity to MM254610
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8318 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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