MMsINC Database Search


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MMsINC code: MMs02773220

Type: Neutral
Formula: C₂₂H₁₈F₂N₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(ccc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C22H18F2N2O2/c23-19-8-4-15(5-9-19)13-25-21(27)17-2-1-3-18(12-17)22(28)26-14-16-6-10-20(24)11-7-16/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)=60.1316 kcal/mol

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

Topological Properties
Globularity: 0.0355798	Sterimol/B1: 2.56382	Sterimol/B2: 3.61883	Sterimol/B3: 3.62077
Sterimol/B4: 5.78076	Sterimol/L: 21.3619

Surface and Volume Properties
Accessible surface: 673.886	Positive charged surface: 341.686	Negative charged surface: 332.199	Volume: 350.875
Hydrophobic surface: 583.411	Hydrophilic surface: 90.475

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.