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DocumentationIdentifier: MM116939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116939 |
| SMILES |
COC(CO)C(C)O
|
| InChIKey |
FTXUAWAGJFCCIT-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111528
Similarity: 0.8438
Similarity to MM111528
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9154 |
| Dice metric | 0.9153 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53196
Similarity: 0.8056
Similarity to MM53196
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196835
Similarity: 0.8056
Similarity to MM196835
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+844 more
