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DocumentationIdentifier: MM419936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419936 |
| SMILES |
C#CC=COC(=CF)CC
|
| InChIKey |
CCXOTQYTMSYJHX-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200360
Similarity: 0.8235
Similarity to MM200360
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376996
Similarity: 0.7563
Similarity to MM376996
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8612 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418827
Similarity: 0.75
Similarity to MM418827
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8571 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
