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MMsINC code: MMs02864992

Type: Ionized
Formula: C₁₆H₁₀F₃O₄-

SMILES:

FC(F)(F)C(OC(=O)c1ccccc1C(=O)[O-])c1ccccc1

InChI:

InChI=1/C16H11F3O4/c17-16(18,19)13(10-6-2-1-3-7-10)23-15(22)12-9-5-4-8-11(12)14(20)21/h1-9,13H,(H,20,21)/p-1/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7589 kcal/mol

Physical Properties
Molecular Weight: 323.246 g/mol	logS: -4.84735	SlogP: 3.0259	Reactive groups: 0

Topological Properties
Globularity: 0.0981944	Sterimol/B1: 2.80239	Sterimol/B2: 3.47778	Sterimol/B3: 4.30137
Sterimol/B4: 6.49402	Sterimol/L: 13.4834

Surface and Volume Properties
Accessible surface: 490.284	Positive charged surface: 186.466	Negative charged surface: 303.818	Volume: 267.125
Hydrophobic surface: 320.193	Hydrophilic surface: 170.091

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Parent related molecule:

MMs02864991
PUBCHEM-ZINC02046415