MMsINC Database Search


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MMsINC code: MMs00708029

Type: Neutral
Formula: C₁₀H₇F₆NO

SMILES:

FC(F)(F)C(C(=O)Nc1ccccc1)C(F)(F)F

InChI:

InChI=1/C10H7F6NO/c11-9(12,13)7(10(14,15)16)8(18)17-6-4-2-1-3-5-6/h1-5,7H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.75419 kcal/mol

Physical Properties
Molecular Weight: 271.16 g/mol	logS: -3.50943	SlogP: 4.2057	Reactive groups: 1

Topological Properties
Globularity: 0.08063	Sterimol/B1: 3.37135	Sterimol/B2: 3.41508	Sterimol/B3: 3.49387
Sterimol/B4: 4.12943	Sterimol/L: 12.6304

Surface and Volume Properties
Accessible surface: 408.652	Positive charged surface: 140.108	Negative charged surface: 268.544	Volume: 192.75
Hydrophobic surface: 208.081	Hydrophilic surface: 200.571

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.