MMsINC Database Search


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MMsINC code: MMs02994172

Type: Neutral
Formula: C₁₁H₉F₄NO₃

SMILES:

Fc1ccc(cc1)C(=O)NC(C(OC)=O)C(F)(F)F

InChI:

InChI=1/C11H9F4NO3/c1-19-10(18)8(11(13,14)15)16-9(17)6-2-4-7(12)5-3-6/h2-5,8H,1H3,(H,16,17)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7457 kcal/mol

Physical Properties
Molecular Weight: 279.189 g/mol	logS: -3.31715	SlogP: 2.0793	Reactive groups: 1

Topological Properties
Globularity: 0.0534931	Sterimol/B1: 2.35074	Sterimol/B2: 2.936	Sterimol/B3: 4.23396
Sterimol/B4: 5.26677	Sterimol/L: 14.7628

Surface and Volume Properties
Accessible surface: 456.794	Positive charged surface: 215.859	Negative charged surface: 240.935	Volume: 213.5
Hydrophobic surface: 300.281	Hydrophilic surface: 156.513

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.