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MMsINC code: MMs01134589

Type: Neutral
Formula: C₂₀H₂₀FN₃O₃

SMILES:

Fc1ccc(-n2nc(cc2C(=O)NCCOC)-c2ccc(OC)cc2)cc1

InChI:

InChI=1/C20H20FN3O3/c1-26-12-11-22-20(25)19-13-18(14-3-9-17(27-2)10-4-14)23-24(19)16-7-5-15(21)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.138 kcal/mol

Physical Properties
Molecular Weight: 369.396 g/mol	logS: -4.72102	SlogP: 3.0632	Reactive groups: 0

Topological Properties
Globularity: 0.0304716	Sterimol/B1: 1.9691	Sterimol/B2: 2.43068	Sterimol/B3: 3.57068
Sterimol/B4: 12.9206	Sterimol/L: 15.9301

Surface and Volume Properties
Accessible surface: 664.413	Positive charged surface: 444.887	Negative charged surface: 219.526	Volume: 347.5
Hydrophobic surface: 597.968	Hydrophilic surface: 66.445

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.