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DocumentationIdentifier: MM261962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261962 |
| SMILES |
CCCC(C)OC(=O)CO
|
| InChIKey |
OGFZZOJAUTYZLD-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328757
Similarity: 0.7652
Similarity to MM328757
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.867 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135235
Similarity: 0.7593
Similarity to MM135235
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261963
Similarity: 0.7154
Similarity to MM261963
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8341 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
