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DocumentationIdentifier: MM348505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348505 |
| SMILES |
C=CC(C)C(F)CCC=O
|
| InChIKey |
IVRWFMOMPQGICQ-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172080
Similarity: 0.7879
Similarity to MM172080
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362410
Similarity: 0.6903
Similarity to MM362410
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8168 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155932
Similarity: 0.6869
Similarity to MM155932
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
