Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM105752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105752 |
| SMILES |
C=CCOCC(=C)C
|
| InChIKey |
AOCWWIFKJRJLOP-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97374
Similarity: 0.881
Similarity to MM97374
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 100.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105634
Similarity: 0.8478
Similarity to MM105634
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9176 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152999
Similarity: 0.7778
Similarity to MM152999
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
