MMsINC Database Search


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MMsINC code: MMs00016648

Type: Neutral
Formula: C₆H₁₀F₂O₄

SMILES:

FC1C(O)C(O)C(OC1F)CO

InChI:

InChI=1/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,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)=48.466 kcal/mol

Physical Properties
Molecular Weight: 184.138 g/mol	logS: 0.19749	SlogP: -0.4272	Reactive groups: 0

Topological Properties
Globularity: 0.138514	Sterimol/B1: 2.75708	Sterimol/B2: 3.1342	Sterimol/B3: 4.04217
Sterimol/B4: 4.45293	Sterimol/L: 10.091

Surface and Volume Properties
Accessible surface: 331.889	Positive charged surface: 217.011	Negative charged surface: 114.878	Volume: 142.125
Hydrophobic surface: 117.658	Hydrophilic surface: 214.231

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.