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DocumentationIdentifier: MM392371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392371 |
| SMILES |
COC(CCC=O)C(C)O
|
| InChIKey |
ZGXWZFGATSODLU-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84460
Similarity: 0.8103
Similarity to MM84460
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8952 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198643
Similarity: 0.717
Similarity to MM198643
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171957
Similarity: 0.6333
Similarity to MM171957
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7755 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
