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DocumentationIdentifier: MM91968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91968 |
| SMILES |
O=C(CO)OCC#CCO
|
| InChIKey |
CDKOAGOMJBSNLS-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48901
Similarity: 0.9351
Similarity to MM48901
| Tanimoto metric | 0.9351 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9664 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92000
Similarity: 0.8372
Similarity to MM92000
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9114 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91989
Similarity: 0.8182
Similarity to MM91989
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
