MMsINC Database Search


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MMsINC code: MMs00004251

Type: Ionized
Formula: C₁₀H₅F₆O₂-

SMILES:

FC(F)(F)c1cc(cc(c1)C(F)(F)F)CC(=O)[O-]

InChI:

InChI=1/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5028 kcal/mol

Physical Properties
Molecular Weight: 271.136 g/mol	logS: -3.7893	SlogP: 2.63957	Reactive groups: 0

Topological Properties
Globularity: 0.109835	Sterimol/B1: 2.43898	Sterimol/B2: 3.33731	Sterimol/B3: 3.80733
Sterimol/B4: 6.29753	Sterimol/L: 9.83539

Surface and Volume Properties
Accessible surface: 403.71	Positive charged surface: 89.3359	Negative charged surface: 314.374	Volume: 185.25
Hydrophobic surface: 113.139	Hydrophilic surface: 290.571

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

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:

MMs00004250
ACROSORGANICS-ZINC00120202