MMsINC Database Search


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MMsINC code: MMs02230609

Type: Ionized
Formula: C₆H₁₁FNO₂-

SMILES:

FC(N)(CC(C)C)C(=O)[O-]

InChI:

InChI=1/C6H12FNO2/c1-4(2)3-6(7,8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/p-1/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2434 kcal/mol

Physical Properties
Molecular Weight: 148.157 g/mol	logS: -1.47726	SlogP: -0.1732	Reactive groups: 0

Topological Properties
Globularity: 0.207327	Sterimol/B1: 2.34961	Sterimol/B2: 2.79382	Sterimol/B3: 3.8563
Sterimol/B4: 4.49226	Sterimol/L: 10.0607

Surface and Volume Properties
Accessible surface: 318.541	Positive charged surface: 186.996	Negative charged surface: 131.545	Volume: 139.25
Hydrophobic surface: 136.238	Hydrophilic surface: 182.303

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02230608
NCID-ZINC01570200