Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM70390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70390 |
| SMILES |
CC#CC(=N)NC=CCO
|
| InChIKey |
CYPHVPPSGLVPBW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168882
Similarity: 0.84
Similarity to MM168882
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157606
Similarity: 0.83
Similarity to MM157606
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74045
Similarity: 0.7545
Similarity to MM74045
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8601 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
