MMsINC Database Search


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MMsINC code: MMs00052277

Type: Neutral
Formula: C₁₁H₁₀ClF₃N₂O₂

SMILES:

Clc1ccc(cc1)C(NC(=O)C(F)(F)F)CC(=O)N

InChI:

InChI=1/C11H10ClF3N2O2/c12-7-3-1-6(2-4-7)8(5-9(16)18)17-10(19)11(13,14)15/h1-4,8H,5H2,(H2,16,18)(H,17,19)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9233 kcal/mol

Physical Properties
Molecular Weight: 294.66 g/mol	logS: -3.50877	SlogP: 2.4504	Reactive groups: 0

Topological Properties
Globularity: 0.181636	Sterimol/B1: 2.34877	Sterimol/B2: 4.43772	Sterimol/B3: 4.56829
Sterimol/B4: 5.93649	Sterimol/L: 13.2957

Surface and Volume Properties
Accessible surface: 465.84	Positive charged surface: 180.934	Negative charged surface: 284.906	Volume: 226.5
Hydrophobic surface: 225.415	Hydrophilic surface: 240.425

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.