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DocumentationIdentifier: MM236780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236780 |
| SMILES |
CC(O)CC(=O)CCC#N
|
| InChIKey |
ASABXDJTKNXGFN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262665
Similarity: 0.8529
Similarity to MM262665
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9206 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262667
Similarity: 0.75
Similarity to MM262667
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8571 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142217
Similarity: 0.7353
Similarity to MM142217
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8475 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
