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DocumentationIdentifier: MM235569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235569 |
| SMILES |
CC(=O)C(C)(C)C#CCO
|
| InChIKey |
HDQWDFBCTBGHFZ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132858
Similarity: 0.785
Similarity to MM132858
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311809
Similarity: 0.7373
Similarity to MM311809
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8488 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235568
Similarity: 0.6942
Similarity to MM235568
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8195 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
