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DocumentationIdentifier: MM326425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326425 |
| SMILES |
C#CC(O)CC(CC)CC
|
| InChIKey |
AIPAKBWTNIYMCQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141766
Similarity: 0.9351
Similarity to MM141766
| Tanimoto metric | 0.9351 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9664 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261815
Similarity: 0.809
Similarity to MM261815
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8944 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244845
Similarity: 0.7826
Similarity to MM244845
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.878 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+645 more
