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DocumentationIdentifier: MM400751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400751 |
| SMILES |
C=CC(CC)C(C=O)C=O
|
| InChIKey |
LXEJLMMJAVTLCP-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376773
Similarity: 0.7865
Similarity to MM376773
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8805 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388183
Similarity: 0.7692
Similarity to MM388183
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298083
Similarity: 0.7426
Similarity to MM298083
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8523 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
