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DocumentationIdentifier: MM224804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224804 |
| SMILES |
CCC(=O)CCC(C)(C)O
|
| InChIKey |
FGPMBONEKHYAHO-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40013
Similarity: 0.8315
Similarity to MM40013
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254906
Similarity: 0.7576
Similarity to MM254906
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8621 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43774
Similarity: 0.7416
Similarity to MM43774
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+360 more
