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DocumentationIdentifier: MM404750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404750 |
| SMILES |
C=CC(=COC=CF)CN
|
| InChIKey |
YTFSFHJKSSGETB-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201774
Similarity: 0.8172
Similarity to MM201774
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404748
Similarity: 0.7525
Similarity to MM404748
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8588 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171372
Similarity: 0.6882
Similarity to MM171372
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8153 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
