Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM79262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79262 |
| SMILES |
C=CC(=CC#N)N(C)C=N
|
| InChIKey |
FPQPFOLPZVOCLS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84503
Similarity: 0.7252
Similarity to MM84503
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8407 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80002
Similarity: 0.7099
Similarity to MM80002
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418908
Similarity: 0.6392
Similarity to MM418908
| Tanimoto metric | 0.6392 |
|---|---|
| Cosine metric | 0.78 |
| Dice metric | 0.7799 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
