MMsINC Database Search


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MMsINC code: MMs01398759

Type: Neutral
Formula: C₁₇H₁₃F₆NO

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(F)(F)F

InChI:

InChI=1/C17H13F6NO/c18-16(19,20)13-8-6-12(7-9-13)15(25)24-14(17(21,22)23)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,25)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7641 kcal/mol

Physical Properties
Molecular Weight: 361.285 g/mol	logS: -5.49992	SlogP: 5.34017	Reactive groups: 0

Topological Properties
Globularity: 0.11749	Sterimol/B1: 2.50779	Sterimol/B2: 3.31436	Sterimol/B3: 3.89717
Sterimol/B4: 8.48504	Sterimol/L: 14.0683

Surface and Volume Properties
Accessible surface: 543.031	Positive charged surface: 195.126	Negative charged surface: 347.906	Volume: 291.5
Hydrophobic surface: 323.653	Hydrophilic surface: 219.378

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.