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DocumentationIdentifier: MM35499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35499 |
| SMILES |
COC(=O)C(C)CO
|
| InChIKey |
ATCCIZURPPEVIZ-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53353
Similarity: 0.8919
Similarity to MM53353
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50245
Similarity: 0.7857
Similarity to MM50245
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41632
Similarity: 0.7765
Similarity to MM41632
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
