MMsINC Database Search


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MMsINC code: MMs03769044

Type: Neutral
Formula: C₆H₁₁FO₄

SMILES:

FC1C(O)C(O)C(OC1O)C

InChI:

InChI=1/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/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)=38.9682 kcal/mol

Physical Properties
Molecular Weight: 166.148 g/mol	logS: 0.19397	SlogP: -0.7967	Reactive groups: 0

Topological Properties
Globularity: 0.222557	Sterimol/B1: 3.05808	Sterimol/B2: 3.0674	Sterimol/B3: 4.12634
Sterimol/B4: 4.56434	Sterimol/L: 9.08031

Surface and Volume Properties
Accessible surface: 327.163	Positive charged surface: 222.914	Negative charged surface: 104.249	Volume: 140.625
Hydrophobic surface: 130.012	Hydrophilic surface: 197.151

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.