Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM64742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64742 |
| SMILES |
CC#CC(=O)OCCNC
|
| InChIKey |
XLGCLDXUBCDSII-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157551
Similarity: 0.8367
Similarity to MM157551
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64720
Similarity: 0.8163
Similarity to MM64720
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66277
Similarity: 0.7407
Similarity to MM66277
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8511 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
