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DocumentationIdentifier: MM420072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420072 |
| SMILES |
COC=CCC(C=O)=CF
|
| InChIKey |
WSRMGUIKPFOAOQ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168926
Similarity: 0.7
Similarity to MM168926
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374118
Similarity: 0.6372
Similarity to MM374118
| Tanimoto metric | 0.6372 |
|---|---|
| Cosine metric | 0.7809 |
| Dice metric | 0.7784 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38108
Similarity: 0.62
Similarity to MM38108
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7874 |
| Dice metric | 0.7654 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
