MMsINC Database Search


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MMsINC code: MMs00458504

Type: Neutral
Formula: C₆H₁₁FO₅

SMILES:

FC1C(O)C(OC(O)C1O)CO

InChI:

InChI=1/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/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)=47.9361 kcal/mol

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

Topological Properties
Globularity: 0.131995	Sterimol/B1: 2.69697	Sterimol/B2: 3.3002	Sterimol/B3: 3.96858
Sterimol/B4: 4.82392	Sterimol/L: 10.1901

Surface and Volume Properties
Accessible surface: 344.521	Positive charged surface: 242.812	Negative charged surface: 101.708	Volume: 145.875
Hydrophobic surface: 115.819	Hydrophilic surface: 228.702

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.