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DocumentationIdentifier: MM162403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162403 |
| SMILES |
CCOCC(=O)C(C)C
|
| InChIKey |
FGHUUHODQDZJEP-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302078
Similarity: 0.9231
Similarity to MM302078
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231362
Similarity: 0.8372
Similarity to MM231362
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302526
Similarity: 0.809
Similarity to MM302526
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
