MMsINC Database Search


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MMsINC code: MMs01314892

Type: Neutral
Formula: C₁₀H₈F₃O₃-

SMILES:

FC(F)(F)C(O)(CC(=O)[O-])c1ccccc1

InChI:

InChI=1/C10H9F3O3/c11-10(12,13)9(16,6-8(14)15)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,14,15)/p-1/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0943 kcal/mol

Physical Properties
Molecular Weight: 233.165 g/mol	logS: -2.3771	SlogP: 1.3079	Reactive groups: 0

Topological Properties
Globularity: 0.282768	Sterimol/B1: 3.78434	Sterimol/B2: 4.01611	Sterimol/B3: 4.37416
Sterimol/B4: 4.46531	Sterimol/L: 10.2992

Surface and Volume Properties
Accessible surface: 372.846	Positive charged surface: 139.959	Negative charged surface: 232.886	Volume: 182.625
Hydrophobic surface: 186.146	Hydrophilic surface: 186.7

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

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Ions/Tautomers related molecules

MMs01314893
ENAMINE-ZINC03223719