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DocumentationIdentifier: MM174039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174039 |
| SMILES |
C=CC(O)C(N)C=CC
|
| InChIKey |
GAIZRRWRLNBESG-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM270014
Similarity: 0.8264
Similarity to MM270014
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56346
Similarity: 0.8
Similarity to MM56346
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355461
Similarity: 0.748
Similarity to MM355461
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8558 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
