Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM50897
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50897 |
| SMILES |
C#CC(=O)C(O)C#CC
|
| InChIKey |
CGPWLHJWZVCDNR-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295812
Similarity: 0.8772
Similarity to MM295812
| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358638
Similarity: 0.8621
Similarity to MM358638
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90470
Similarity: 0.8547
Similarity to MM90470
| Tanimoto metric | 0.8547 |
|---|---|
| Cosine metric | 0.9245 |
| Dice metric | 0.9217 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
