Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM283968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283968 |
| SMILES |
CCN=CNC(C)=CC#N
|
| InChIKey |
HIXVAJONFLMWTR-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168945
Similarity: 0.7684
Similarity to MM168945
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85104
Similarity: 0.7053
Similarity to MM85104
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8272 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383400
Similarity: 0.6694
Similarity to MM383400
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8019 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
