MMsINC Database Search


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MMsINC code: MMs01208170

Type: Neutral
Formula: C₂₂H₁₆F₂N₄O₂

SMILES:

Fc1ccccc1C(=O)Nc1cc(-n2nc(OC)nc2-c2ccc(F)cc2)ccc1

InChI:

InChI=1/C22H16F2N4O2/c1-30-22-26-20(14-9-11-15(23)12-10-14)28(27-22)17-6-4-5-16(13-17)25-21(29)18-7-2-3-8-19(18)24/h2-13H,1H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.568 kcal/mol

Physical Properties
Molecular Weight: 406.392 g/mol	logS: -7.59898	SlogP: 4.4734	Reactive groups: 0

Topological Properties
Globularity: 0.0797321	Sterimol/B1: 2.55021	Sterimol/B2: 3.53163	Sterimol/B3: 4.23754
Sterimol/B4: 10.0824	Sterimol/L: 17.7863

Surface and Volume Properties
Accessible surface: 657.73	Positive charged surface: 367.65	Negative charged surface: 290.079	Volume: 359.125
Hydrophobic surface: 573.035	Hydrophilic surface: 84.695

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.