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DocumentationIdentifier: MM37063
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37063 |
| SMILES |
O=CC=CC(=O)CF
|
| InChIKey |
ICQPJKHDOCQAGP-UHFFFAOYSA-N
|
| MW [Da] |
116.09
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26671
Similarity: 0.8364
Similarity to MM26671
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114237
Similarity: 0.7742
Similarity to MM114237
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8727 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169809
Similarity: 0.7576
Similarity to MM169809
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8621 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
