Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM113681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113681 |
| SMILES |
C=C(CC)OC=CC
|
| InChIKey |
YWUZITQWMTZRBR-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
2.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168576
Similarity: 0.8594
Similarity to MM168576
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.927 |
| Dice metric | 0.9244 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168696
Similarity: 0.8209
Similarity to MM168696
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146422
Similarity: 0.7971
Similarity to MM146422
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+859 more
