MMsINC Database Search


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MMsINC code: MMs02879328

Type: Neutral
Formula: C₁₁H₁₃F₃N₂O

SMILES:

FC(F)(F)c1ccccc1NC(=O)NC(C)C

InChI:

InChI=1/C11H13F3N2O/c1-7(2)15-10(17)16-9-6-4-3-5-8(9)11(12,13)14/h3-7H,1-2H3,(H2,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.2789 kcal/mol

Physical Properties
Molecular Weight: 246.232 g/mol	logS: -3.13916	SlogP: 3.5468	Reactive groups: 0

Topological Properties
Globularity: 0.0418569	Sterimol/B1: 2.4384	Sterimol/B2: 3.45881	Sterimol/B3: 3.47473
Sterimol/B4: 5.39416	Sterimol/L: 13.1791

Surface and Volume Properties
Accessible surface: 442.588	Positive charged surface: 224.203	Negative charged surface: 218.385	Volume: 213.25
Hydrophobic surface: 259.716	Hydrophilic surface: 182.872

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