Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM80255
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80255 |
| SMILES |
C#CC(C#C)OC(=O)CO
|
| InChIKey |
CFXSWBQZVDYJKH-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43070
Similarity: 0.898
Similarity to MM43070
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150208
Similarity: 0.7755
Similarity to MM150208
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264725
Similarity: 0.7417
Similarity to MM264725
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8517 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
