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DocumentationIdentifier: MM02110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02110 |
| SMILES |
CC(C#N)C(=O)OCC#N
|
| InChIKey |
ZIOSHAIDJQZLCD-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02838
Similarity: 0.7627
Similarity to MM02838
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8654 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47974
Similarity: 0.7451
Similarity to MM47974
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Methyl 2-cyanopropanoate
Similarity: 0.7157
Similarity to Methyl 2-cyanopropanoate
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
