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DocumentationIdentifier: MM340446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340446 |
| SMILES |
CCC(CCC(C)=O)OC
|
| InChIKey |
YOXDRTIWMLLTTQ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144268
Similarity: 0.8085
Similarity to MM144268
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316452
Similarity: 0.6786
Similarity to MM316452
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8085 |
| Dice metric | 0.8085 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250613
Similarity: 0.6735
Similarity to MM250613
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8049 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
