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DocumentationIdentifier: MM258701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258701 |
| SMILES |
CCC(F)C(CO)C(=O)O
|
| InChIKey |
ILOCJYHGGKALOT-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253853
Similarity: 0.7051
Similarity to MM253853
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8271 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296808
Similarity: 0.6871
Similarity to MM296808
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8145 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296806
Similarity: 0.6748
Similarity to MM296806
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8059 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
