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DocumentationIdentifier: MM104213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104213 |
| SMILES |
CC(C)OC(C)C=O
|
| InChIKey |
AAPDVSFWBQNMLJ-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42800
Similarity: 0.9149
Similarity to MM42800
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97956
Similarity: 0.8837
Similarity to MM97956
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36226
Similarity: 0.8511
Similarity to MM36226
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9195 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
