Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM23642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23642 |
| SMILES |
CN(C=O)C(C#N)CC#N
|
| InChIKey |
MJUQMTHPAYGZJD-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24003
Similarity: 0.8034
Similarity to MM24003
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24635
Similarity: 0.7094
Similarity to MM24635
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178041
Similarity: 0.7009
Similarity to MM178041
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8241 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
