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DocumentationIdentifier: MM114105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114105 |
| SMILES |
N#CC(O)C=CCO
|
| InChIKey |
BTGMLBGKWBLRDI-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145453
Similarity: 0.8209
Similarity to MM145453
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26635
Similarity: 0.8182
Similarity to MM26635
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114103
Similarity: 0.746
Similarity to MM114103
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8545 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+524 more
