MMsINC Database Search


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MMsINC code: MMs00639106

Type: Neutral
Formula: C₂₂H₁₈F₂N₂O₂

SMILES:

Fc1cc(ccc1)C(=O)NCc1cc(ccc1)CNC(=O)c1cc(F)ccc1

InChI:

InChI=1/C22H18F2N2O2/c23-19-8-2-6-17(11-19)21(27)25-13-15-4-1-5-16(10-15)14-26-22(28)18-7-3-9-20(24)12-18/h1-12H,13-14H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9022 kcal/mol

Physical Properties
Molecular Weight: 380.394 g/mol	logS: -5.8029	SlogP: 4.3576	Reactive groups: 0

Topological Properties
Globularity: 0.0758542	Sterimol/B1: 2.097	Sterimol/B2: 2.45497	Sterimol/B3: 5.13782
Sterimol/B4: 9.49616	Sterimol/L: 16.9731

Surface and Volume Properties
Accessible surface: 667.209	Positive charged surface: 344.128	Negative charged surface: 323.081	Volume: 352.875
Hydrophobic surface: 574.681	Hydrophilic surface: 92.528

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.