MMsINC Database Search


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MMsINC code: MMs00019735

Type: Neutral
Formula: C₁₀H₇F₆NO

SMILES:

FC(F)(F)c1cc(cc(NC(=O)C)c1)C(F)(F)F

InChI:

InChI=1/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9181 kcal/mol

Physical Properties
Molecular Weight: 271.16 g/mol	logS: -3.70743	SlogP: 4.3056	Reactive groups: 0

Topological Properties
Globularity: 0.0489647	Sterimol/B1: 2.51422	Sterimol/B2: 2.77367	Sterimol/B3: 4.47686
Sterimol/B4: 5.33214	Sterimol/L: 11.7124

Surface and Volume Properties
Accessible surface: 417.77	Positive charged surface: 132.496	Negative charged surface: 285.273	Volume: 191.75
Hydrophobic surface: 161.587	Hydrophilic surface: 256.183

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.