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DocumentationIdentifier: MM307110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307110 |
| SMILES |
CCC(=O)C(C)(C=O)OC
|
| InChIKey |
BUSBTCONGXSWPX-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42650
Similarity: 0.7152
Similarity to MM42650
| Tanimoto metric | 0.7152 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41681
Similarity: 0.6954
Similarity to MM41681
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15868
Similarity: 0.6424
Similarity to MM15868
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.7823 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
