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DocumentationIdentifier: MM305362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305362 |
| SMILES |
C=CCC(OCC)C(N)=O
|
| InChIKey |
DXLDARXIHIYOEA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52250
Similarity: 0.8156
Similarity to MM52250
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393157
Similarity: 0.7107
Similarity to MM393157
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8309 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305233
Similarity: 0.6429
Similarity to MM305233
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7828 |
| Dice metric | 0.7826 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
