MMsINC Database Search


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MMsINC code: MMs01654215

Type: Neutral
Formula: C₂₂H₁₈F₂N₂O₃

SMILES:

Fc1ccc(F)cc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C22H18F2N2O3/c23-16-10-11-18(24)19(12-16)26-21(27)14-29-20-9-5-4-8-17(20)22(28)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.605 kcal/mol

Physical Properties
Molecular Weight: 396.393 g/mol	logS: -5.93568	SlogP: 4.1787	Reactive groups: 0

Topological Properties
Globularity: 0.0305079	Sterimol/B1: 3.61254	Sterimol/B2: 3.6838	Sterimol/B3: 3.71585
Sterimol/B4: 8.72038	Sterimol/L: 20.166

Surface and Volume Properties
Accessible surface: 676.465	Positive charged surface: 370.546	Negative charged surface: 305.919	Volume: 358.5
Hydrophobic surface: 594.842	Hydrophilic surface: 81.623

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.