MMsINC Database Search


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MMsINC code: MMs02885940

Type: Neutral
Formula: C₁₁H₁₀F₃NO₃

SMILES:

FC(F)(F)C(=O)NC(C(OC)=O)c1ccccc1

InChI:

InChI=1/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8097 kcal/mol

Physical Properties
Molecular Weight: 261.199 g/mol	logS: -3.02217	SlogP: 2.0946	Reactive groups: 0

Topological Properties
Globularity: 0.190111	Sterimol/B1: 2.17184	Sterimol/B2: 3.21593	Sterimol/B3: 4.09154
Sterimol/B4: 8.1645	Sterimol/L: 12.3338

Surface and Volume Properties
Accessible surface: 453.314	Positive charged surface: 215.883	Negative charged surface: 237.431	Volume: 210.125
Hydrophobic surface: 278.545	Hydrophilic surface: 174.769

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	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: no related molecules available.