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DocumentationIdentifier: MM374691
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374691 |
| SMILES |
C=C(CCC=O)C(O)CC
|
| InChIKey |
NJUZPTDWNMIOHL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378005
Similarity: 0.7525
Similarity to MM378005
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361111
Similarity: 0.712
Similarity to MM361111
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8318 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364677
Similarity: 0.7105
Similarity to MM364677
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8308 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
