Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM388567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388567 |
| SMILES |
COC(C(C)=O)C(O)C#N
|
| InChIKey |
SXGQLMGMATVQHN-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297961
Similarity: 0.7366
Similarity to MM297961
| Tanimoto metric | 0.7366 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8483 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160249
Similarity: 0.6894
Similarity to MM160249
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8162 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53253
Similarity: 0.6584
Similarity to MM53253
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
