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DocumentationIdentifier: MM240342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240342 |
| SMILES |
CCC=COC(C)(C)CN
|
| InChIKey |
XMDWSTOVZWAKNF-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138604
Similarity: 0.8795
Similarity to MM138604
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168105
Similarity: 0.8072
Similarity to MM168105
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240421
Similarity: 0.7872
Similarity to MM240421
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.881 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
