MMsINC Database Search


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MMsINC code: MMs02148178

Type: Neutral
Formula: C₁₇H₁₃F₆NO

SMILES:

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C17H13F6NO/c1-10(11-5-3-2-4-6-11)24-15(25)12-7-13(16(18,19)20)9-14(8-12)17(21,22)23/h2-10H,1H3,(H,24,25)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2356 kcal/mol

Physical Properties
Molecular Weight: 361.285 g/mol	logS: -5.73922	SlogP: 5.9337	Reactive groups: 0

Topological Properties
Globularity: 0.0654537	Sterimol/B1: 2.20392	Sterimol/B2: 2.3677	Sterimol/B3: 4.98915
Sterimol/B4: 6.97122	Sterimol/L: 15.2143

Surface and Volume Properties
Accessible surface: 564.313	Positive charged surface: 195.234	Negative charged surface: 369.079	Volume: 287.5
Hydrophobic surface: 304.796	Hydrophilic surface: 259.517

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.