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MMsINC code: MMs02544786

Type: Neutral
Formula: C₁₄H₉F₃O₃

SMILES:

FC(F)(F)Oc1ccc(cc1)-c1ccccc1C(O)=O

InChI:

InChI=1/C14H9F3O3/c15-14(16,17)20-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8366 kcal/mol

Physical Properties
Molecular Weight: 282.217 g/mol	logS: -4.96999	SlogP: 4.3703	Reactive groups: 0

Topological Properties
Globularity: 0.0660702	Sterimol/B1: 2.47522	Sterimol/B2: 3.08241	Sterimol/B3: 3.44961
Sterimol/B4: 7.10538	Sterimol/L: 14.4627

Surface and Volume Properties
Accessible surface: 455.629	Positive charged surface: 200.064	Negative charged surface: 252.163	Volume: 228.875
Hydrophobic surface: 262.065	Hydrophilic surface: 193.564

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02544787
OAKWOOD-ZINC02528988