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DocumentationIdentifier: MM380624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380624 |
| SMILES |
CC=CC(C=O)C(C)=CF
|
| InChIKey |
RPMJQZZCFSCEBQ-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197652
Similarity: 0.746
Similarity to MM197652
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180192
Similarity: 0.6984
Similarity to MM180192
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8224 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275861
Similarity: 0.6709
Similarity to MM275861
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.803 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
