MMsINC Database Search


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MMsINC code: MMs01734336

Type: Neutral
Formula: C₁₀H₁₀F₃NO₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1OCC

InChI:

InChI=1/C10H10F3NO2/c1-2-16-8-6-4-3-5-7(8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3918 kcal/mol

Physical Properties
Molecular Weight: 233.189 g/mol	logS: -3.04755	SlogP: 3.006	Reactive groups: 0

Topological Properties
Globularity: 0.0385625	Sterimol/B1: 2.32406	Sterimol/B2: 2.45878	Sterimol/B3: 2.86486
Sterimol/B4: 7.51277	Sterimol/L: 12.207

Surface and Volume Properties
Accessible surface: 418.365	Positive charged surface: 203.813	Negative charged surface: 214.552	Volume: 192.375
Hydrophobic surface: 241.988	Hydrophilic surface: 176.377

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.