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DocumentationIdentifier: MM405134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405134 |
| SMILES |
COC(=CC=CCF)CO
|
| InChIKey |
RRYOLXJMUWXPDK-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201991
Similarity: 0.8061
Similarity to MM201991
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8927 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405251
Similarity: 0.7315
Similarity to MM405251
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8449 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171444
Similarity: 0.7245
Similarity to MM171444
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
