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DocumentationIdentifier: MM383866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383866 |
| SMILES |
C=CC=C(C=CCN)OC
|
| InChIKey |
MITDDEHABFFGSQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200942
Similarity: 0.81
Similarity to MM200942
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383908
Similarity: 0.7091
Similarity to MM383908
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8298 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428683
Similarity: 0.6923
Similarity to MM428683
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8182 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
