Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM40461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40461 |
| SMILES |
CC(O)C(C)(O)CC#N
|
| InChIKey |
NQJBOLNTPLQARQ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58743
Similarity: 0.8115
Similarity to MM58743
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42169
Similarity: 0.7596
Similarity to MM42169
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8634 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58703
Similarity: 0.7557
Similarity to MM58703
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
