MMsINC Database Search


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MMsINC code: MMs01298631

Type: Neutral
Formula: C₁₀H₉F₄NO

SMILES:

FC(C(=O)Nc1ccc(cc1)C)C(F)(F)F

InChI:

InChI=1/C10H9F4NO/c1-6-2-4-7(5-3-6)15-9(16)8(11)10(12,13)14/h2-5,8H,1H3,(H,15,16)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8807 kcal/mol

Physical Properties
Molecular Weight: 235.18 g/mol	logS: -3.46757	SlogP: 3.67372	Reactive groups: 1

Topological Properties
Globularity: 0.0546675	Sterimol/B1: 3.11164	Sterimol/B2: 3.22975	Sterimol/B3: 3.35594
Sterimol/B4: 4.34609	Sterimol/L: 13.5734

Surface and Volume Properties
Accessible surface: 410.634	Positive charged surface: 170.245	Negative charged surface: 240.389	Volume: 184.875
Hydrophobic surface: 234.819	Hydrophilic surface: 175.815

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