Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM242362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242362 |
| SMILES |
CC(C)(C=O)C(=O)CC#N
|
| InChIKey |
XDUIAKFFYSAWSP-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02893
Similarity: 0.7879
Similarity to MM02893
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449497
Similarity: 0.729
Similarity to MM449497
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8432 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137887
Similarity: 0.7172
Similarity to MM137887
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
