Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM459026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459026 |
| SMILES |
COC=CC#CC=COC
|
| InChIKey |
KLZZZUMPRSUBDF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126571
Similarity: 0.9535
Similarity to MM126571
| Tanimoto metric | 0.9535 |
|---|---|
| Cosine metric | 0.9765 |
| Dice metric | 0.9762 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100969
Similarity: 0.8372
Similarity to MM100969
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215848
Similarity: 0.82
Similarity to MM215848
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.9011 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
