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DocumentationIdentifier: MM456765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456765 |
| SMILES |
N#CC(=COC1CC1)CO
|
| InChIKey |
HVHQSYVKKXKWND-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209713
Similarity: 0.7778
Similarity to MM209713
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456867
Similarity: 0.728
Similarity to MM456867
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8426 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209677
Similarity: 0.7265
Similarity to MM209677
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
