Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM66220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66220 |
| SMILES |
CC(=O)NC(C)C(C)C#N
|
| InChIKey |
UPPAGWRQKDRMPJ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41035
Similarity: 0.7049
Similarity to MM41035
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304121
Similarity: 0.6639
Similarity to MM304121
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.798 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81590
Similarity: 0.6
Similarity to MM81590
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7615 |
| Dice metric | 0.75 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
