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DocumentationIdentifier: MM146498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146498 |
| SMILES |
CC(C)=CCC(C)=CF
|
| InChIKey |
MSLLBIGYNDKNSQ-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113914
Similarity: 0.8125
Similarity to MM113914
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325901
Similarity: 0.8101
Similarity to MM325901
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256271
Similarity: 0.7901
Similarity to MM256271
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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