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DocumentationIdentifier: MM67659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67659 |
| SMILES |
COC=CC(C)OCCN
|
| InChIKey |
RKXQAZVZIGFBJS-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157685
Similarity: 0.8
Similarity to MM157685
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281491
Similarity: 0.7083
Similarity to MM281491
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8293 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357228
Similarity: 0.6869
Similarity to MM357228
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8144 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
