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DocumentationIdentifier: MM233957
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233957 |
| SMILES |
CC(C)(CCC=O)OC=O
|
| InChIKey |
CQMGDIXOZVZXTC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261660
Similarity: 0.6695
Similarity to MM261660
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.802 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276161
Similarity: 0.6116
Similarity to MM276161
| Tanimoto metric | 0.6116 |
|---|---|
| Cosine metric | 0.759 |
| Dice metric | 0.759 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221738
Similarity: 0.6063
Similarity to MM221738
| Tanimoto metric | 0.6063 |
|---|---|
| Cosine metric | 0.7555 |
| Dice metric | 0.7549 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
