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DocumentationIdentifier: MM57836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57836 |
| SMILES |
C#CC(C)CC(C)(O)CO
|
| InChIKey |
FZOJXVMHXGXQLL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41856
Similarity: 0.7573
Similarity to MM41856
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42783
Similarity: 0.7282
Similarity to MM42783
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432003
Similarity: 0.699
Similarity to MM432003
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
