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DocumentationIdentifier: MM420379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420379 |
| SMILES |
C=CC(=CF)OC=CCO
|
| InChIKey |
ROONNUYYILIPCU-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200420
Similarity: 0.8632
Similarity to MM200420
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420904
Similarity: 0.783
Similarity to MM420904
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8783 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420366
Similarity: 0.7523
Similarity to MM420366
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8586 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
