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DocumentationIdentifier: MM405780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405780 |
| SMILES |
CCC=COC(CC)CO
|
| InChIKey |
IBEYNZYVIDNWNR-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405782
Similarity: 0.8211
Similarity to MM405782
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9017 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387913
Similarity: 0.7573
Similarity to MM387913
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8619 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406084
Similarity: 0.7451
Similarity to MM406084
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8539 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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