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DocumentationIdentifier: MM179012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179012 |
| SMILES |
O=CC=C(CF)CC=O
|
| InChIKey |
DKCAZZHUBQFKBI-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37959
Similarity: 0.8354
Similarity to MM37959
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116748
Similarity: 0.8101
Similarity to MM116748
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180845
Similarity: 0.7128
Similarity to MM180845
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8323 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
