Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM82664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82664 |
| SMILES |
N#CC(O)C(=O)C(O)C#N
|
| InChIKey |
IEWNGMPPFZZRNU-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
-1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47504
Similarity: 0.9412
Similarity to MM47504
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50371
Similarity: 0.8333
Similarity to MM50371
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35602
Similarity: 0.7059
Similarity to MM35602
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
