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DocumentationIdentifier: MM332834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332834 |
| SMILES |
C#CC(CO)CC(C)CC
|
| InChIKey |
UPSFFSPCFBODOZ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334848
Similarity: 0.8
Similarity to MM334848
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375696
Similarity: 0.7931
Similarity to MM375696
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8846 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359302
Similarity: 0.7931
Similarity to MM359302
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8846 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
