Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM79833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79833 |
| SMILES |
N#CC(O)CC(C#N)C#N
|
| InChIKey |
DBHNWFYMFCUZKT-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42795
Similarity: 0.875
Similarity to MM42795
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149819
Similarity: 0.8125
Similarity to MM149819
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77348
Similarity: 0.7245
Similarity to MM77348
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8402 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
