Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM72539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72539 |
| SMILES |
CC(C)C(O)C(C#N)C#N
|
| InChIKey |
XEDKWMWNGXYOKG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53299
Similarity: 0.878
Similarity to MM53299
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82297
Similarity: 0.7955
Similarity to MM82297
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8861 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223699
Similarity: 0.7396
Similarity to MM223699
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8503 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
