Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM75310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75310 |
| SMILES |
COC=C(CC#N)CC#N
|
| InChIKey |
BQRVLJLTZBHWAP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178945
Similarity: 0.9467
Similarity to MM178945
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385643
Similarity: 0.7889
Similarity to MM385643
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.882 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107879
Similarity: 0.7733
Similarity to MM107879
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
