MMsINC Database Search


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MMsINC code: MMs00726187

Type: Neutral
Formula: C₁₆H₁₂F₄N₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C16H12F4N2O2/c17-12-6-4-10(5-7-12)9-21-14(23)15(24)22-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7457 kcal/mol

Physical Properties
Molecular Weight: 340.276 g/mol	logS: -4.87897	SlogP: 3.6773	Reactive groups: 0

Topological Properties
Globularity: 0.0463955	Sterimol/B1: 3.14566	Sterimol/B2: 3.33968	Sterimol/B3: 4.08189
Sterimol/B4: 5.78645	Sterimol/L: 16.6469

Surface and Volume Properties
Accessible surface: 556.626	Positive charged surface: 246.822	Negative charged surface: 309.804	Volume: 279.75
Hydrophobic surface: 353.085	Hydrophilic surface: 203.541

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.