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DocumentationIdentifier: MM253163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253163 |
| SMILES |
CCCC(O)CC=C(C)F
|
| InChIKey |
JGUXMDPRJNBWFM-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146286
Similarity: 0.8367
Similarity to MM146286
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253194
Similarity: 0.7736
Similarity to MM253194
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8723 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM324254
Similarity: 0.7241
Similarity to MM324254
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.84 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+687 more
