Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM363686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363686 |
| SMILES |
CC(C#N)C=CCNC=O
|
| InChIKey |
YKFDGOGNXFSNDK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169608
Similarity: 0.8228
Similarity to MM169608
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56644
Similarity: 0.7722
Similarity to MM56644
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259825
Similarity: 0.7303
Similarity to MM259825
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8442 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
