MMsINC Database Search


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MMsINC code: MMs00458506

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1C(O)C(O)C(OC1CO)O

InChI:

InChI=1/C6H11FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4-,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0079 kcal/mol

Physical Properties
Molecular Weight: 182.147 g/mol	logS: 0.72372	SlogP: -1.8243	Reactive groups: 0

Topological Properties
Globularity: 0.318383	Sterimol/B1: 3.35301	Sterimol/B2: 3.58735	Sterimol/B3: 3.73236
Sterimol/B4: 4.03254	Sterimol/L: 9.76292

Surface and Volume Properties
Accessible surface: 332.379	Positive charged surface: 249.963	Negative charged surface: 82.4157	Volume: 145.25
Hydrophobic surface: 122.878	Hydrophilic surface: 209.501

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.