Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM281716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281716 |
| SMILES |
C#CCN(C)C=NCC=C
|
| InChIKey |
DINTYSRCXAMAON-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157896
Similarity: 0.8148
Similarity to MM157896
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169562
Similarity: 0.7531
Similarity to MM169562
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215049
Similarity: 0.716
Similarity to MM215049
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
