MMsINC Database Search


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MMsINC code: MMs00059168

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FCC1OC(O)C(O)C(O)C1O

InChI:

InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1439 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.72372	SlogP: -2.2442	Reactive groups: 1

Topological Properties
Globularity: 0.174309	Sterimol/B1: 2.67387	Sterimol/B2: 3.29404	Sterimol/B3: 3.37448
Sterimol/B4: 4.62489	Sterimol/L: 9.54025

Surface and Volume Properties
Accessible surface: 332.403	Positive charged surface: 224.531	Negative charged surface: 107.873	Volume: 146
Hydrophobic surface: 115.193	Hydrophilic surface: 217.21

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.