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MMsINC code: MMs03405258

Type: Neutral
Formula: C₆H₁₁FO₆

SMILES:

FC1(OC(O)C(O)C(O)C1O)CO

InChI:

InChI=1/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,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)=76.7245 kcal/mol

Physical Properties
Molecular Weight: 198.146 g/mol	logS: 0.8703	SlogP: -2.5043	Reactive groups: 0

Topological Properties
Globularity: 0.236479	Sterimol/B1: 2.64361	Sterimol/B2: 3.40536	Sterimol/B3: 3.93255
Sterimol/B4: 4.47022	Sterimol/L: 10.505

Surface and Volume Properties
Accessible surface: 343.093	Positive charged surface: 257.557	Negative charged surface: 85.5357	Volume: 152
Hydrophobic surface: 109.356	Hydrophilic surface: 233.737

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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

MMs03405259
PUBCHEM-ZINC05830457