MMsINC Database Search


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MMsINC code: MMs01254740

Type: Neutral
Formula: C₂₃H₁₆F₂N₂O₃

SMILES:

Fc1cc(ccc1F)C(=O)CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H16F2N2O3/c24-18-12-11-15(13-19(18)25)20(28)14-27-21(29)23(26-22(27)30,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,26,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1656 kcal/mol

Physical Properties
Molecular Weight: 406.388 g/mol	logS: -6.2595	SlogP: 3.9546	Reactive groups: 0

Topological Properties
Globularity: 0.113526	Sterimol/B1: 2.5003	Sterimol/B2: 3.70551	Sterimol/B3: 5.08006
Sterimol/B4: 8.92993	Sterimol/L: 16.7972

Surface and Volume Properties
Accessible surface: 632.122	Positive charged surface: 298.794	Negative charged surface: 333.329	Volume: 357.5
Hydrophobic surface: 536.396	Hydrophilic surface: 95.726

Pharmacophoric Properties
Hydrogen bond donors: 1	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.