MMsINC Database Search


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MMsINC code: MMs02289818

Type: Neutral
Formula: C₁₀H₇F₆NO₂

SMILES:

FC(F)(F)C(O)(NC(=O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C10H7F6NO2/c11-9(12,13)8(19,10(14,15)16)17-7(18)6-4-2-1-3-5-6/h1-5,19H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0702 kcal/mol

Physical Properties
Molecular Weight: 287.159 g/mol	logS: -3.55041	SlogP: 3.0694	Reactive groups: 0

Topological Properties
Globularity: 0.084996	Sterimol/B1: 3.47866	Sterimol/B2: 3.55711	Sterimol/B3: 3.56272
Sterimol/B4: 4.22349	Sterimol/L: 12.6454

Surface and Volume Properties
Accessible surface: 415.306	Positive charged surface: 134.617	Negative charged surface: 280.689	Volume: 199.375
Hydrophobic surface: 187.871	Hydrophilic surface: 227.435

Pharmacophoric Properties
Hydrogen bond donors: 2	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.