Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM258338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258338 |
| SMILES |
C=C(C)COCC(=C)CO
|
| InChIKey |
PLCAKBATHKITHH-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166403
Similarity: 0.9194
Similarity to MM166403
| Tanimoto metric | 0.9194 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.958 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166672
Similarity: 0.9032
Similarity to MM166672
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364622
Similarity: 0.7917
Similarity to MM364622
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8837 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
