MMsINC Database Search


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MMsINC code: MMs01683202

Type: Neutral
Formula: C₂₁H₁₆F₂N₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc(NC(=O)c2cc(F)ccc2)ccc1C

InChI:

InChI=1/C21H16F2N2O2/c1-13-8-9-18(24-20(26)14-4-2-6-16(22)10-14)12-19(13)25-21(27)15-5-3-7-17(23)11-15/h2-12H,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.666 kcal/mol

Physical Properties
Molecular Weight: 366.367 g/mol	logS: -6.07529	SlogP: 4.77782	Reactive groups: 0

Topological Properties
Globularity: 0.0177002	Sterimol/B1: 2.3831	Sterimol/B2: 2.73751	Sterimol/B3: 2.93687
Sterimol/B4: 9.22783	Sterimol/L: 18.2075

Surface and Volume Properties
Accessible surface: 613.586	Positive charged surface: 303.52	Negative charged surface: 310.066	Volume: 328.875
Hydrophobic surface: 546.314	Hydrophilic surface: 67.272

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.