Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM68047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68047 |
| SMILES |
CN=CNC(C)C#CCN
|
| InChIKey |
CBYXFKSXUMDETB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157592
Similarity: 0.8605
Similarity to MM157592
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158391
Similarity: 0.8256
Similarity to MM158391
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73791
Similarity: 0.7391
Similarity to MM73791
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.85 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
