MMsINC Database Search


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MMsINC code: MMs03283391

Type: Neutral
Formula: C₁₀H₁₀F₃NO₂

SMILES:

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

InChI:

InChI=1/C10H10F3NO2/c11-10(12,13)9(16)14-8(6-15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6618 kcal/mol

Physical Properties
Molecular Weight: 233.189 g/mol	logS: -2.41146	SlogP: 1.9139	Reactive groups: 0

Topological Properties
Globularity: 0.204279	Sterimol/B1: 3.04912	Sterimol/B2: 3.4841	Sterimol/B3: 3.84742
Sterimol/B4: 5.13691	Sterimol/L: 12.3556

Surface and Volume Properties
Accessible surface: 414.755	Positive charged surface: 190.696	Negative charged surface: 224.059	Volume: 190.875
Hydrophobic surface: 224.545	Hydrophilic surface: 190.21

Pharmacophoric Properties
Hydrogen bond donors: 2	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.