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DocumentationIdentifier: MM386798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386798 |
| SMILES |
C=CCC(=CC=CF)CC
|
| InChIKey |
SDZGDSAECRIFIK-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159691
Similarity: 0.8378
Similarity to MM159691
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383099
Similarity: 0.7907
Similarity to MM383099
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8831 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201959
Similarity: 0.7838
Similarity to MM201959
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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