Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM89088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89088 |
| SMILES |
N#CC=CC(C#N)OC=O
|
| InChIKey |
UOSRTIGRVBJCDT-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157849
Similarity: 0.729
Similarity to MM157849
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116201
Similarity: 0.6355
Similarity to MM116201
| Tanimoto metric | 0.6355 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7771 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15746
Similarity: 0.5571
Similarity to MM15746
| Tanimoto metric | 0.5571 |
|---|---|
| Cosine metric | 0.7157 |
| Dice metric | 0.7156 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
