MMsINC Database Search


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MMsINC code: MMs03416735

Type: Neutral
Formula: C₆H₁₁FO₄

SMILES:

FC1COC(CO)C(O)C1O

InChI:

InChI=1/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1274 kcal/mol

Physical Properties
Molecular Weight: 166.148 g/mol	logS: 0.40191	SlogP: -1.1427	Reactive groups: 0

Topological Properties
Globularity: 0.129368	Sterimol/B1: 2.44773	Sterimol/B2: 2.7422	Sterimol/B3: 3.02533
Sterimol/B4: 6.06044	Sterimol/L: 10.0959

Surface and Volume Properties
Accessible surface: 328.242	Positive charged surface: 240.355	Negative charged surface: 87.8873	Volume: 139.5
Hydrophobic surface: 149.443	Hydrophilic surface: 178.799

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.