Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM63854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63854 |
| SMILES |
C#CC#CC(=O)OCCN
|
| InChIKey |
FHDWFYZNJCABAH-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.88
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: 0.8542
Similarity to MM157551
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158545
Similarity: 0.7917
Similarity to MM158545
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64742
Similarity: 0.7321
Similarity to MM64742
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8454 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
