MMsINC Database Search


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MMsINC code: MMs00005108

Type: Neutral
Formula: C₁₄H₉F₃O

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)c1ccccc1

InChI:

InChI=1/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6804 kcal/mol

Physical Properties
Molecular Weight: 250.219 g/mol	logS: -4.51424	SlogP: 4.2479	Reactive groups: 0

Topological Properties
Globularity: 0.0492291	Sterimol/B1: 2.73712	Sterimol/B2: 3.26212	Sterimol/B3: 3.43991
Sterimol/B4: 5.60185	Sterimol/L: 12.2678

Surface and Volume Properties
Accessible surface: 429.164	Positive charged surface: 165.418	Negative charged surface: 263.745	Volume: 215.75
Hydrophobic surface: 293.853	Hydrophilic surface: 135.311

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.