Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM02871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02871 |
| SMILES |
COC(C)CC(C#N)C#N
|
| InChIKey |
CVRZYVUOLXSCQL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141684
Similarity: 0.8876
Similarity to MM141684
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326192
Similarity: 0.7315
Similarity to MM326192
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8449 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149819
Similarity: 0.7303
Similarity to MM149819
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
