MMsINC Database Search


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MMsINC code: MMs00507903

Type: Neutral
Formula: C₂₂H₁₈F₂N₂O₂

SMILES:

Fc1ccccc1CNC(=O)c1cc(ccc1)C(=O)NCc1ccccc1F

InChI:

InChI=1/C22H18F2N2O2/c23-19-10-3-1-6-17(19)13-25-21(27)15-8-5-9-16(12-15)22(28)26-14-18-7-2-4-11-20(18)24/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)=58.3744 kcal/mol

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

Topological Properties
Globularity: 0.0344712	Sterimol/B1: 2.43529	Sterimol/B2: 3.46222	Sterimol/B3: 4.77429
Sterimol/B4: 5.11319	Sterimol/L: 20.9312

Surface and Volume Properties
Accessible surface: 661.229	Positive charged surface: 341.042	Negative charged surface: 320.187	Volume: 351.875
Hydrophobic surface: 571.273	Hydrophilic surface: 89.956

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.