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DocumentationIdentifier: MM309932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309932 |
| SMILES |
CCC(C)(CC)OC=CF
|
| InChIKey |
YKUSKFYAVWVDOO-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138603
Similarity: 0.8488
Similarity to MM138603
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228763
Similarity: 0.7374
Similarity to MM228763
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8488 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199459
Similarity: 0.7326
Similarity to MM199459
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
