Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM252870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252870 |
| SMILES |
CC(=O)C#CC(=O)CCO
|
| InChIKey |
AOWIZQIZXJDLQC-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46940
Similarity: 0.8706
Similarity to MM46940
| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9308 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282759
Similarity: 0.8621
Similarity to MM282759
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9259 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158480
Similarity: 0.8353
Similarity to MM158480
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
