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DocumentationIdentifier: MM261236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261236 |
| SMILES |
COCC(C)CC(O)CO
|
| InChIKey |
RIMPRQDKVVMUGP-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141511
Similarity: 0.75
Similarity to MM141511
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84422
Similarity: 0.7449
Similarity to MM84422
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8538 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325842
Similarity: 0.7184
Similarity to MM325842
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8362 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
