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DocumentationIdentifier: MM77932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77932 |
| SMILES |
CCC(CO)(CC#N)OC
|
| InChIKey |
MTYMAEVDOXJZEL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42181
Similarity: 0.7917
Similarity to MM42181
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61706
Similarity: 0.7823
Similarity to MM61706
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8779 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42169
Similarity: 0.7
Similarity to MM42169
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
