MMsINC Database Search


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MMsINC code: MMs03417007

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4748 kcal/mol

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

Topological Properties
Globularity: 0.142978	Sterimol/B1: 2.45557	Sterimol/B2: 2.70555	Sterimol/B3: 3.34439
Sterimol/B4: 6.06814	Sterimol/L: 10.1226

Surface and Volume Properties
Accessible surface: 328.823	Positive charged surface: 243.548	Negative charged surface: 85.2746	Volume: 139.25
Hydrophobic surface: 150.908	Hydrophilic surface: 177.915

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.