Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM41500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41500 |
| SMILES |
CCC(C)(O)C(O)C#N
|
| InChIKey |
PBYVVKNFCYCOQI-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
MM76602
Similarity: 0.9027
Similarity to MM76602
| Tanimoto metric | 0.9027 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9488 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58743
Similarity: 0.8361
Similarity to MM58743
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59219
Similarity: 0.7786
Similarity to MM59219
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
