Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM79895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79895 |
| SMILES |
C#CC(C#C)CC(O)CO
|
| InChIKey |
WLWCGSVUFPGGDY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42783
Similarity: 0.8929
Similarity to MM42783
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371563
Similarity: 0.7738
Similarity to MM371563
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226533
Similarity: 0.7212
Similarity to MM226533
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.838 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
