Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM82452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82452 |
| SMILES |
C#CC(CCF)N(C)C=N
|
| InChIKey |
UPVNRQDNTXDJEW-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178085
Similarity: 0.72
Similarity to MM178085
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172121
Similarity: 0.672
Similarity to MM172121
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8038 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377243
Similarity: 0.6463
Similarity to MM377243
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7851 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
