MMsINC Database Search


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MMsINC code: MMs01251930

Type: Neutral
Formula: C₁₁H₉F₃O₂

SMILES:

FC(F)(F)C(=O)CC(=O)c1ccc(cc1)C

InChI:

InChI=1/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4086 kcal/mol

Physical Properties
Molecular Weight: 230.185 g/mol	logS: -3.45997	SlogP: 3.11912	Reactive groups: 1

Topological Properties
Globularity: 0.021036	Sterimol/B1: 2.63732	Sterimol/B2: 2.64002	Sterimol/B3: 3.15543
Sterimol/B4: 4.56199	Sterimol/L: 13.9172

Surface and Volume Properties
Accessible surface: 413.126	Positive charged surface: 170.777	Negative charged surface: 242.349	Volume: 191.125
Hydrophobic surface: 239.188	Hydrophilic surface: 173.938

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs01251931 ENAMINE-ZINC02566538	MMs01251932 ENAMINE-ZINC02566538	MMs01251934 ENAMINE-ZINC02566538
MMs01251933 ENAMINE-ZINC02566538