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DocumentationIdentifier: MM382853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382853 |
| SMILES |
CCC(=CC(C)(C)O)CC
|
| InChIKey |
WMLQMNHRQRRQON-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388208
Similarity: 0.8941
Similarity to MM388208
| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344446
Similarity: 0.7647
Similarity to MM344446
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382850
Similarity: 0.76
Similarity to MM382850
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8636 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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