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DocumentationIdentifier: MM15864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15864 |
| SMILES |
N#CCC(=O)COCC=O
|
| InChIKey |
WZFCPZVGDDDFBM-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69539
Similarity: 0.8211
Similarity to MM69539
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.9017 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69593
Similarity: 0.8105
Similarity to MM69593
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8953 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-methoxy-3-oxobutanenitrile
Similarity: 0.75
Similarity to 4-methoxy-3-oxobutanenitrile
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
