MMsINC Database Search


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MMsINC code: MMs02868294

Type: Neutral
Formula: C₁₁H₁₀F₅NO

SMILES:

FC(F)(C(=O)Nc1ccc(cc1C)C)C(F)(F)F

InChI:

InChI=1/C11H10F5NO/c1-6-3-4-8(7(2)5-6)17-9(18)10(12,13)11(14,15)16/h3-5H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4094 kcal/mol

Physical Properties
Molecular Weight: 267.197 g/mol	logS: -4.00769	SlogP: 4.27934	Reactive groups: 1

Topological Properties
Globularity: 0.0387349	Sterimol/B1: 2.6286	Sterimol/B2: 2.69979	Sterimol/B3: 3.04949
Sterimol/B4: 5.62665	Sterimol/L: 13.7272

Surface and Volume Properties
Accessible surface: 431.163	Positive charged surface: 169.48	Negative charged surface: 261.682	Volume: 206.5
Hydrophobic surface: 247.444	Hydrophilic surface: 183.719

Pharmacophoric Properties
Hydrogen bond donors: 1	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.