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DocumentationIdentifier: MM129850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129850 |
| SMILES |
CC(C(=O)O)C(C)(C)C
|
| InChIKey |
ILBXYVICWFMUPR-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222815
Similarity: 0.8065
Similarity to MM222815
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109050
Similarity: 0.7867
Similarity to MM109050
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132904
Similarity: 0.7143
Similarity to MM132904
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8333 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
