Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94933 |
| SMILES |
C#CC(OC=C)C(=C)CO
|
| InChIKey |
KQQXMWHKPTYTJT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53477
Similarity: 0.7793
Similarity to MM53477
| Tanimoto metric | 0.7793 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409879
Similarity: 0.689
Similarity to MM409879
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8159 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379018
Similarity: 0.625
Similarity to MM379018
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7693 |
| Dice metric | 0.7692 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
