MMsINC Database Search


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MMsINC code: MMs03804829

Type: Neutral
Formula: C₁₁H₁₁F₃N₂O₂

SMILES:

FC(F)(F)C(=O)NC(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C11H11F3N2O2/c12-11(13,14)10(18)16-8(9(15)17)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,15,17)(H,16,18)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7974 kcal/mol

Physical Properties
Molecular Weight: 260.215 g/mol	logS: -2.95403	SlogP: 1.18137	Reactive groups: 0

Topological Properties
Globularity: 0.160329	Sterimol/B1: 3.31661	Sterimol/B2: 3.55749	Sterimol/B3: 4.8495
Sterimol/B4: 5.02219	Sterimol/L: 11.3237

Surface and Volume Properties
Accessible surface: 435.148	Positive charged surface: 191.902	Negative charged surface: 243.246	Volume: 212.75
Hydrophobic surface: 203.748	Hydrophilic surface: 231.4

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.