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DocumentationIdentifier: MM58163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58163 |
| SMILES |
C=CC(N)C(O)C=CCF
|
| InChIKey |
NCJCTQBBDPIZJZ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163123
Similarity: 0.7724
Similarity to MM163123
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355461
Similarity: 0.7122
Similarity to MM355461
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8319 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270019
Similarity: 0.6923
Similarity to MM270019
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8182 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
