Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM67722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67722 |
| SMILES |
CN(C)C=C(C#N)NC=O
|
| InChIKey |
JRYBLMGQTMCJQT-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51957
Similarity: 0.8198
Similarity to MM51957
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86462
Similarity: 0.6972
Similarity to MM86462
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8216 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79609
Similarity: 0.6741
Similarity to MM79609
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8053 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
